HIT ID: HIT100552848

Cas No: 832109-48-5

分子式: C14H13N3O5S

分子量: 335.33

常用名: methyl 2-amino-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate, DC-S238

氢键受体数 (HBA): 5

氢键供体数 (HBD): 3

LogP: 4.108

IUPAC: methyl 2-amino-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate

SMILES: COC(=O)c1c(N)sc(C(=O)Nc2cccc(c2)[N+]([O-])=O)c1C

InChI key: BSKMIMMIUZSPKF-UHFFFAOYSA-N