AH85181
865479-71-6 | 5-R-Rivaroxaban
Manufacturer: A2B Chem
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CatalogNumber
AH85181
ChemicalName
5-R-Rivaroxaban
CasNumber
865479-71-6
MolecularFormula
C19H18ClN3O5S
MolecularWeight
435.8813
MdlNumber
MFCD17171369
Smiles
O=C1OC(CN1c1ccc(cc1)N1CCOCC1=O)CNC(=O)c1ccc(s1)Cl
Complexity
645
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.5
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CatalogNumber: AH85181
ChemicalName: 5-R-Rivaroxaban
CasNumber: 865479-71-6
MolecularFormula: C19H18ClN3O5S
MolecularWeight: 435.8813
MdlNumber: MFCD17171369
Smiles: O=C1OC(CN1c1ccc(cc1)N1CCOCC1=O)CNC(=O)c1ccc(s1)Cl
Complexity: 645
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.5
CatalogNumber:
AH85181
ChemicalName:
5-R-Rivaroxaban
CasNumber:
865479-71-6
MolecularFormula:
C19H18ClN3O5S
MolecularWeight:
435.8813
MdlNumber:
MFCD17171369
Smiles:
O=C1OC(CN1c1ccc(cc1)N1CCOCC1=O)CNC(=O)c1ccc(s1)Cl
Complexity:
645
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.5
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Smiles: Ic1ccc(c(c1)F)n1c(N)cc(=O)n(c1=O)C1CC1
Complexity: __
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Smiles:
Ic1ccc(c(c1)F)n1c(N)cc(=O)n(c1=O)C1CC1
Complexity:
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RotatableBondCount:
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Smiles: [N-]=[N+]=N[C@]1(CO)O[C@@H]2[C@H]([C@@H]1O)Oc1n2ccc(=O)n1
Complexity: __
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Smiles:
[N-]=[N+]=N[C@]1(CO)O[C@@H]2[C@H]([C@@H]1O)Oc1n2ccc(=O)n1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: C=C1CC(C1)c1nc(c2n1ccnc2Cl)c1ccc2c(c1)nc(cc2)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=C1CC(C1)c1nc(c2n1ccnc2Cl)c1ccc2c(c1)nc(cc2)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__