AD19474
148016-81-3 | Doripenem
Manufacturer: A2B Chem
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CatalogNumber
AD19474
ChemicalName
Doripenem
CasNumber
148016-81-3
MolecularFormula
C15H24N4O6S2
MolecularWeight
420.5043
MdlNumber
MFCD02092739
Smiles
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)CNS(=O)(=O)N)O
Complexity
780
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
6
HeavyAtomCount
27
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
5
RotatableBondCount
7
Xlogp3
-3.4
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CatalogNumber: AD19474
ChemicalName: Doripenem
CasNumber: 148016-81-3
MolecularFormula: C15H24N4O6S2
MolecularWeight: 420.5043
MdlNumber: MFCD02092739
Smiles: C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)CNS(=O)(=O)N)O
Complexity: 780
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 6
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 5
RotatableBondCount: 7
Xlogp3: -3.4
CatalogNumber:
AD19474
ChemicalName:
Doripenem
CasNumber:
148016-81-3
MolecularFormula:
C15H24N4O6S2
MolecularWeight:
420.5043
MdlNumber:
MFCD02092739
Smiles:
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)CNS(=O)(=O)N)O
Complexity:
780
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
6
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
5
RotatableBondCount:
7
Xlogp3:
-3.4
CatalogNumber: AD19475
ChemicalName: 2-sulfanylbenzoic acid
CasNumber: 147-93-3
MolecularFormula: C7H6O2S
MolecularWeight: 154.1863
MdlNumber: MFCD00004836
Smiles: OC(=S)c1ccccc1O
Complexity: 136
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AD19475
ChemicalName:
2-sulfanylbenzoic acid
CasNumber:
147-93-3
MolecularFormula:
C7H6O2S
MolecularWeight:
154.1863
MdlNumber:
MFCD00004836
Smiles:
OC(=S)c1ccccc1O
Complexity:
136
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1COCC[NH2+]1.[O-]C(=O)c1ccccc1O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1COCC[NH2+]1.[O-]C(=O)c1ccccc1O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(C)c(c(c1C)S)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(C)c(c(c1C)S)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__