2-{[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y500-4313 |
| Compound Name: | 2-{[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 426.85 |
| Molecular Formula: | C17 H14 Cl F3 N6 S |
| Smiles: | Cc1c(c(C(F)(F)F)nn1Cc1nc2c3c4CCCCc4sc3N=Cn2n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5217 |
| logD: | 3.5209 |
| logSw: | -4.8231 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 49.313 |
| InChI Key: | YBXQWURJOVXZGA-UHFFFAOYSA-N |