HIT ID: HIT101432440
Cas No: 701940-94-5
分子式: C19H22N2OS
分子量: 326.46
常用名: ML407
氢键受体数 (HBA): 2
氢键供体数 (HBD): 1
LogP: 6.21
IUPAC: 1-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-1H-1,3-benzodiazole-2-thiol
IUPAC: 1-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-1H-1,3-benzodiazole-2-thiol
SMILES: CC(C)c1ccc(C)cc1OCCn1c(S)nc2ccccc12
SMILES: CC(C)c1ccc(C)cc1OCCn1c(S)nc2ccccc12
InChI key: FEHKMRKXIVBAPE-UHFFFAOYSA-N
