AB52538
630420-16-5 | Asunaprevir
Manufacturer: A2B Chem
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CatalogNumber
AB52538
ChemicalName
Asunaprevir
CasNumber
630420-16-5
MolecularFormula
C35H46ClN5O9S
MolecularWeight
748.2858
MdlNumber
MFCD27987900
Smiles
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)Oc1ncc(c2c1cc(Cl)cc2)OC)C(=O)NS(=O)(=O)C1CC1
Complexity
1470
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
5
HeavyAtomCount
51
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
3
RotatableBondCount
14
Xlogp3
4.9
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CatalogNumber: AB52538
ChemicalName: Asunaprevir
CasNumber: 630420-16-5
MolecularFormula: C35H46ClN5O9S
MolecularWeight: 748.2858
MdlNumber: MFCD27987900
Smiles: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)Oc1ncc(c2c1cc(Cl)cc2)OC)C(=O)NS(=O)(=O)C1CC1
Complexity: 1470
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 5
HeavyAtomCount: 51
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 3
RotatableBondCount: 14
Xlogp3: 4.9
CatalogNumber:
AB52538
ChemicalName:
Asunaprevir
CasNumber:
630420-16-5
MolecularFormula:
C35H46ClN5O9S
MolecularWeight:
748.2858
MdlNumber:
MFCD27987900
Smiles:
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)Oc1ncc(c2c1cc(Cl)cc2)OC)C(=O)NS(=O)(=O)C1CC1
Complexity:
1470
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
5
HeavyAtomCount:
51
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
3
RotatableBondCount:
14
Xlogp3:
4.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCCc1ccc2c3c1ccc1c3c(cc2)ccc1
Complexity: 418
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 5.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCCc1ccc2c3c1ccc1c3c(cc2)ccc1
Complexity:
418
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
5.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [Na]OS(=O)(=O)c1cc(cc2c1nc(cc2)C1C(=O)c2c(C1=O)cccc2)S(=O)(=O)O[Na]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[Na]OS(=O)(=O)c1cc(cc2c1nc(cc2)C1C(=O)c2c(C1=O)cccc2)S(=O)(=O)O[Na]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC(=O)[C@H]([C@@H]([C@@H](CO[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O)O.O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC(=O)[C@H]([C@@H]([C@@H](CO[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O)O.O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__