AE23582
112006-57-2 | 2-(Benzylthio)-N,N-dimethylnicotinamide
Manufacturer: A2B Chem
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CatalogNumber
AE23582
ChemicalName
2-(Benzylthio)-N,N-dimethylnicotinamide
CasNumber
112006-57-2
MolecularFormula
C15H16N2OS
MolecularWeight
272.3653
MdlNumber
MFCD08316155
Smiles
O=C(c1cccnc1SCc1ccccc1)N(C)C
Complexity
290
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
2.7
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CatalogNumber: AE23582
ChemicalName: 2-(Benzylthio)-N,N-dimethylnicotinamide
CasNumber: 112006-57-2
MolecularFormula: C15H16N2OS
MolecularWeight: 272.3653
MdlNumber: MFCD08316155
Smiles: O=C(c1cccnc1SCc1ccccc1)N(C)C
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 2.7
CatalogNumber:
AE23582
ChemicalName:
2-(Benzylthio)-N,N-dimethylnicotinamide
CasNumber:
112006-57-2
MolecularFormula:
C15H16N2OS
MolecularWeight:
272.3653
MdlNumber:
MFCD08316155
Smiles:
O=C(c1cccnc1SCc1ccccc1)N(C)C
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
2.7
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Smiles: CCc1c[n+]([O-])c(cc1[N+](=O)[O-])C
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CCc1c[n+]([O-])c(cc1[N+](=O)[O-])C
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Smiles: CN1CCN(CC1)C2CCN(CC2)C(=O)NC3=NC=CC(=C3)OC4=CC(=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F.C(C(C(=O)O)O)(C(=O)O)O
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Smiles:
CN1CCN(CC1)C2CCN(CC2)C(=O)NC3=NC=CC(=C3)OC4=CC(=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F.C(C(C(=O)O)O)(C(=O)O)O
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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