AA65427
147118-39-6 | Methyl (+)-(3r)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methanesulfonylamino)pyrimidin-5-yl]-3-hydroxy-5-oxo-(6e)-heptenoate
Manufacturer: A2B Chem
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CatalogNumber
AA65427
ChemicalName
Methyl (+)-(3r)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methanesulfonylamino)pyrimidin-5-yl]-3-hydroxy-5-oxo-(6e)-heptenoate
CasNumber
147118-39-6
MolecularFormula
C23H28FN3O6S
MolecularWeight
493.5483
MdlNumber
MFCD12755726
Smiles
COC(=O)C[C@@H](CC(=O)/C=C/c1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C)O
Complexity
823
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
34
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
1
RotatableBondCount
11
Xlogp3
1.9
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CatalogNumber: AA65427
ChemicalName: Methyl (+)-(3r)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methanesulfonylamino)pyrimidin-5-yl]-3-hydroxy-5-oxo-(6e)-heptenoate
CasNumber: 147118-39-6
MolecularFormula: C23H28FN3O6S
MolecularWeight: 493.5483
MdlNumber: MFCD12755726
Smiles: COC(=O)C[C@@H](CC(=O)/C=C/c1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C)O
Complexity: 823
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 1
RotatableBondCount: 11
Xlogp3: 1.9
CatalogNumber:
AA65427
ChemicalName:
Methyl (+)-(3r)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methanesulfonylamino)pyrimidin-5-yl]-3-hydroxy-5-oxo-(6e)-heptenoate
CasNumber:
147118-39-6
MolecularFormula:
C23H28FN3O6S
MolecularWeight:
493.5483
MdlNumber:
MFCD12755726
Smiles:
COC(=O)C[C@@H](CC(=O)/C=C/c1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C)O
Complexity:
823
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
1
RotatableBondCount:
11
Xlogp3:
1.9
CatalogNumber: __
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CasNumber: __
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MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C[C@H](O[Si](C(C)(C)C)(C)C)CC(=O)/C=C/c1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C
Complexity: __
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Smiles:
COC(=O)C[C@H](O[Si](C(C)(C)C)(C)C)CC(=O)/C=C/c1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=Cc1c(nc(nc1C(C)C)N(S(=O)(=O)C)C)c1ccc(cc1)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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__
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__
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__
MolecularFormula:
__
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__
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Smiles:
O=Cc1c(nc(nc1C(C)C)N(S(=O)(=O)C)C)c1ccc(cc1)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1c(nc(nc1C(C)C)N(S(=O)(=O)C)C)c1ccc(cc1)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1c(nc(nc1C(C)C)N(S(=O)(=O)C)C)c1ccc(cc1)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__