AA65790
147489-06-3 | t-Butyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-heptenoate
Manufacturer: A2B Chem
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CatalogNumber
AA65790
ChemicalName
t-Butyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-heptenoate
CasNumber
147489-06-3
MolecularFormula
C32H36FNO4
MolecularWeight
517.6309
MdlNumber
MFCD12911897
Smiles
O=C(OC(C)(C)C)C[C@H]1C[C@@H](/C=C/c2c(nc3c(c2c2ccc(cc2)F)cccc3)C2CC2)OC(O1)(C)C
Complexity
841
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
DefinedBondStereocenterCount
1
HeavyAtomCount
38
HydrogenBondAcceptorCount
6
RotatableBondCount
8
Xlogp3
6.4
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CatalogNumber: AA65790
ChemicalName: t-Butyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-heptenoate
CasNumber: 147489-06-3
MolecularFormula: C32H36FNO4
MolecularWeight: 517.6309
MdlNumber: MFCD12911897
Smiles: O=C(OC(C)(C)C)C[C@H]1C[C@@H](/C=C/c2c(nc3c(c2c2ccc(cc2)F)cccc3)C2CC2)OC(O1)(C)C
Complexity: 841
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
DefinedBondStereocenterCount: 1
HeavyAtomCount: 38
HydrogenBondAcceptorCount: 6
RotatableBondCount: 8
Xlogp3: 6.4
CatalogNumber:
AA65790
ChemicalName:
t-Butyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-heptenoate
CasNumber:
147489-06-3
MolecularFormula:
C32H36FNO4
MolecularWeight:
517.6309
MdlNumber:
MFCD12911897
Smiles:
O=C(OC(C)(C)C)C[C@H]1C[C@@H](/C=C/c2c(nc3c(c2c2ccc(cc2)F)cccc3)C2CC2)OC(O1)(C)C
Complexity:
841
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
DefinedBondStereocenterCount:
1
HeavyAtomCount:
38
HydrogenBondAcceptorCount:
6
RotatableBondCount:
8
Xlogp3:
6.4
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Smiles: OC(=O)C(CC(=O)c1ccccc1C)(C)C
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Smiles:
OC(=O)C(CC(=O)c1ccccc1C)(C)C
Complexity:
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Smiles: CCN(CC1OCCN(C1)Cc1ccccc1)CC
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Smiles:
CCN(CC1OCCN(C1)Cc1ccccc1)CC
Complexity:
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Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Clc1ccc(cc1)C1CC(=O)c2c(N1)cccc2
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Clc1ccc(cc1)C1CC(=O)c2c(N1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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