2-{[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y501-0669 |
| Compound Name: | 2-{[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 513.88 |
| Molecular Formula: | C20 H13 Cl F5 N7 S |
| Smiles: | Cc1cc(C(F)F)nc2c1c1c(c3nc(Cn4c(C5CC5)c(c(C(F)(F)F)n4)[Cl])nn3cn1)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.1155 |
| logD: | 5.1117 |
| logSw: | -5.6901 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.239 |
| InChI Key: | SONBBXRSBPPJOY-UHFFFAOYSA-N |