AE95930
175476-51-4 | Methyl 4-sulfamoylbutanoate
Manufacturer: A2B Chem
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CatalogNumber
AE95930
ChemicalName
Methyl 4-sulfamoylbutanoate
CasNumber
175476-51-4
MolecularFormula
C5H11NO4S
MolecularWeight
181.2101
MdlNumber
MFCD12783411
Smiles
COC(=O)CCCS(=O)(=O)N
Complexity
215
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
-0.9
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CatalogNumber: AE95930
ChemicalName: Methyl 4-sulfamoylbutanoate
CasNumber: 175476-51-4
MolecularFormula: C5H11NO4S
MolecularWeight: 181.2101
MdlNumber: MFCD12783411
Smiles: COC(=O)CCCS(=O)(=O)N
Complexity: 215
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: -0.9
CatalogNumber:
AE95930
ChemicalName:
Methyl 4-sulfamoylbutanoate
CasNumber:
175476-51-4
MolecularFormula:
C5H11NO4S
MolecularWeight:
181.2101
MdlNumber:
MFCD12783411
Smiles:
COC(=O)CCCS(=O)(=O)N
Complexity:
215
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
-0.9
CatalogNumber: AE95931
ChemicalName: 4-Hydroxy-3-methylquinolin-2(1H)-one
CasNumber: 1873-59-2
MolecularFormula: C10H9NO2
MolecularWeight: 175.184
MdlNumber: MFCD00100774
Smiles: O=c1[nH]c2ccccc2c(c1C)O
Complexity: 270
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
AE95931
ChemicalName:
4-Hydroxy-3-methylquinolin-2(1H)-one
CasNumber:
1873-59-2
MolecularFormula:
C10H9NO2
MolecularWeight:
175.184
MdlNumber:
MFCD00100774
Smiles:
O=c1[nH]c2ccccc2c(c1C)O
Complexity:
270
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1nc(Nc2ccccc2)nc(n1)N(c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1nc(Nc2ccccc2)nc(n1)N(c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__