HIT ID: HIT212712895
Cas No: 86315-52-8
分子式: C14H13N3O2S
分子量: 287.34
常用名: Isomazole
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 0.6423452
IUPAC: 2-(4-methanesulfinyl-2-methoxyphenyl)-3H-imidazo[4,5-c]pyridine
IUPAC: 2-(4-methanesulfinyl-2-methoxyphenyl)-3H-imidazo[4,5-c]pyridine
SMILES: COc1cc(ccc1-c1nc2ccncc2[nH]1)S(C)=O
SMILES: COc1cc(ccc1-c1nc2ccncc2[nH]1)S(C)=O
InChI key: JQUKCPUPFALELS-UHFFFAOYSA-N