AA32303
119018-29-0 | 4-[2-[(3-Ethyl-4-methyl-2-oxo-3-pyrrolin-1-yl)carboxamido]ethyl]benzenesulfonamide
Manufacturer: A2B Chem
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CatalogNumber
AA32303
ChemicalName
4-[2-[(3-Ethyl-4-methyl-2-oxo-3-pyrrolin-1-yl)carboxamido]ethyl]benzenesulfonamide
CasNumber
119018-29-0
MolecularFormula
C16H21N3O4S
MolecularWeight
351.4206
MdlNumber
MFCD02955393
Smiles
CCC1=C(C)CN(C1=O)C(=O)NCCc1ccc(cc1)S(=O)(=O)N
Complexity
628
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
1.2
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CatalogNumber: AA32303
ChemicalName: 4-[2-[(3-Ethyl-4-methyl-2-oxo-3-pyrrolin-1-yl)carboxamido]ethyl]benzenesulfonamide
CasNumber: 119018-29-0
MolecularFormula: C16H21N3O4S
MolecularWeight: 351.4206
MdlNumber: MFCD02955393
Smiles: CCC1=C(C)CN(C1=O)C(=O)NCCc1ccc(cc1)S(=O)(=O)N
Complexity: 628
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 1.2
CatalogNumber:
AA32303
ChemicalName:
4-[2-[(3-Ethyl-4-methyl-2-oxo-3-pyrrolin-1-yl)carboxamido]ethyl]benzenesulfonamide
CasNumber:
119018-29-0
MolecularFormula:
C16H21N3O4S
MolecularWeight:
351.4206
MdlNumber:
MFCD02955393
Smiles:
CCC1=C(C)CN(C1=O)C(=O)NCCc1ccc(cc1)S(=O)(=O)N
Complexity:
628
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
1.2
CatalogNumber: __
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MolecularFormula: __
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Smiles: FC(c1nccc2c1cc[nH]2)(F)F
Complexity: __
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Smiles:
FC(c1nccc2c1cc[nH]2)(F)F
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Smiles: Nc1cnc2c(c1)c(I)c[nH]2
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Nc1cnc2c(c1)c(I)c[nH]2
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Smiles: [O-][N+](=O)c1cncc2c1c(Br)c[nH]2
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Smiles:
[O-][N+](=O)c1cncc2c1c(Br)c[nH]2
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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