HIT ID: HIT100552848
Cas No: 832109-48-5
分子式: C14H13N3O5S
分子量: 335.33
常用名: 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
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
SMILES: COC(=O)c1c(N)sc(C(=O)Nc2cccc(c2)[N+]([O-])=O)c1C
InChI key: BSKMIMMIUZSPKF-UHFFFAOYSA-N
