HIT ID: HIT212673388
Cas No: 1221349-53-6
分子式: C23H19F6N3O
分子量: 467.415
常用名: TC-I 2014
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: 6.64644
IUPAC: 3-[7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-1,3-benzodiazol-2-yl]-1-oxa-2-azaspiro[4.5]dec-2-ene
IUPAC: 3-[7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-1,3-benzodiazol-2-yl]-1-oxa-2-azaspiro[4.5]dec-2-ene
SMILES: FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F
SMILES: FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F
InChI key: VSMFCZZEKTVDHM-UHFFFAOYSA-N
