HIT ID: HIT212672788
Cas No: 1359983-15-5
分子式: C22H18ClF2N3O2S
分子量: 461.91
常用名: PAT-048
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: 6.1053653
IUPAC: 3-{[6-chloro-7-fluoro-2-methyl-1-(1-propyl-1H-pyrazol-4-yl)-1H-indol-3-yl]sulfanyl}-2-fluorobenzoic acid
IUPAC: 3-{[6-chloro-7-fluoro-2-methyl-1-(1-propyl-1H-pyrazol-4-yl)-1H-indol-3-yl]sulfanyl}-2-fluorobenzoic acid
SMILES: CCCn1cc(cn1)-n1c(C)c(Sc2cccc(C(O)=O)c2F)c2ccc(Cl)c(F)c12
SMILES: CCCn1cc(cn1)-n1c(C)c(Sc2cccc(C(O)=O)c2F)c2ccc(Cl)c(F)c12
InChI key: QNKMXCMJVQFBLM-UHFFFAOYSA-N
