AI50246
42384-33-8 | methyl (2S)-2-[(4-methylbenzene)sulfonamido]-3-phenylpropanoate
Manufacturer: A2B Chem
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CatalogNumber
AI50246
ChemicalName
methyl (2S)-2-[(4-methylbenzene)sulfonamido]-3-phenylpropanoate
CasNumber
42384-33-8
MolecularFormula
C17H19NO4S
MolecularWeight
333.4021
MdlNumber
MFCD27578212
Smiles
COC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)C)Cc1ccccc1
NscNumber
339917
Complexity
471
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
7
UndefinedAtomStereocenterCount
1
Xlogp3
3.2
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CatalogNumber: AI50246
ChemicalName: methyl (2S)-2-[(4-methylbenzene)sulfonamido]-3-phenylpropanoate
CasNumber: 42384-33-8
MolecularFormula: C17H19NO4S
MolecularWeight: 333.4021
MdlNumber: MFCD27578212
Smiles: COC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)C)Cc1ccccc1
NscNumber: 339917
Complexity: 471
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 7
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.2
CatalogNumber:
AI50246
ChemicalName:
methyl (2S)-2-[(4-methylbenzene)sulfonamido]-3-phenylpropanoate
CasNumber:
42384-33-8
MolecularFormula:
C17H19NO4S
MolecularWeight:
333.4021
MdlNumber:
MFCD27578212
Smiles:
COC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)C)Cc1ccccc1
NscNumber:
339917
Complexity:
471
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(Cl)nc(n1)Nc1nc2c([nH]1)cccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(Cl)nc(n1)Nc1nc2c([nH]1)cccc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(O)nc(n1)Nc1nc2c([nH]1)cccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(O)nc(n1)Nc1nc2c([nH]1)cccc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc2c(c1)ccnc2
NscNumber: __
Complexity: 133
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc2c(c1)ccnc2
NscNumber:
__
Complexity:
133
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.4