2-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
2-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | D351-0562 |
| Compound Name: | 2-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 483.94 |
| Molecular Formula: | C21 H21 Cl F3 N5 O S |
| Smiles: | Cc1c(c(C)n(c2nc(CC(N3CCN(CC3)c3cccc(c3)C(F)(F)F)=O)cs2)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4272 |
| logD: | 4.4272 |
| logSw: | -4.7974 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 44.353 |
| InChI Key: | VKTBNYYQSQMTPE-UHFFFAOYSA-N |