1-(azepan-1-yl)-2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}ethan-1-one
1-(azepan-1-yl)-2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D458-0872 |
| Compound Name: | 1-(azepan-1-yl)-2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}ethan-1-one |
| Molecular Weight: | 428.98 |
| Molecular Formula: | C22 H25 Cl N4 O S |
| Smiles: | Cc1c(CC(N2CCCCCC2)=O)c(C)n(c2nc(cs2)c2ccc(cc2)[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 5.4118 |
| logD: | 5.4114 |
| logSw: | -5.9096 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.657 |
| InChI Key: | CBPHAORCVBOIGM-UHFFFAOYSA-N |