AE11290
1096708-71-2 | 4-Pyrimidinecarboxamide, 6-amino-5-chloro-n-[(1r)-1-[5-[[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]carbonyl]-2-thiazolyl]ethyl]-
Manufacturer: A2B Chem
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CatalogNumber
AE11290
ChemicalName
4-Pyrimidinecarboxamide, 6-amino-5-chloro-n-[(1r)-1-[5-[[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]carbonyl]-2-thiazolyl]ethyl]-
CasNumber
1096708-71-2
MolecularFormula
C17H12Cl2F3N7O2S
MolecularWeight
506.2891
MdlNumber
MFCD22571730
Smiles
CC(c1ncc(s1)C(=O)Nc1ncc(c(c1)C(F)(F)F)Cl)NC(=O)c1ncnc(c1Cl)N
Complexity
695
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
32
HydrogenBondAcceptorCount
11
HydrogenBondDonorCount
3
RotatableBondCount
5
Xlogp3
3
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CatalogNumber: AE11290
ChemicalName: 4-Pyrimidinecarboxamide, 6-amino-5-chloro-n-[(1r)-1-[5-[[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]carbonyl]-2-thiazolyl]ethyl]-
CasNumber: 1096708-71-2
MolecularFormula: C17H12Cl2F3N7O2S
MolecularWeight: 506.2891
MdlNumber: MFCD22571730
Smiles: CC(c1ncc(s1)C(=O)Nc1ncc(c(c1)C(F)(F)F)Cl)NC(=O)c1ncnc(c1Cl)N
Complexity: 695
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 11
HydrogenBondDonorCount: 3
RotatableBondCount: 5
Xlogp3: 3
CatalogNumber:
AE11290
ChemicalName:
4-Pyrimidinecarboxamide, 6-amino-5-chloro-n-[(1r)-1-[5-[[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]carbonyl]-2-thiazolyl]ethyl]-
CasNumber:
1096708-71-2
MolecularFormula:
C17H12Cl2F3N7O2S
MolecularWeight:
506.2891
MdlNumber:
MFCD22571730
Smiles:
CC(c1ncc(s1)C(=O)Nc1ncc(c(c1)C(F)(F)F)Cl)NC(=O)c1ncnc(c1Cl)N
Complexity:
695
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
11
HydrogenBondDonorCount:
3
RotatableBondCount:
5
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H]1C[C@@H](C[C@H]1COS(=O)(=O)N)n1ccc2c1ncnc2N[C@H]1CCc2c1cccc2.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
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Smiles:
O[C@H]1C[C@@H](C[C@H]1COS(=O)(=O)N)n1ccc2c1ncnc2N[C@H]1CCc2c1cccc2.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(n1)[nH]cc2)N1CCC(CC1)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(n1)[nH]cc2)N1CCC(CC1)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C1CCC1)NCCCNc1nc(ncc1C1CC1)Nc1cccc(c1)CN1CCOCC1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C1CCC1)NCCCNc1nc(ncc1C1CC1)Nc1cccc(c1)CN1CCOCC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__