(azepan-1-yl)(2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)methanone
Chemical Structure Depiction of
(azepan-1-yl)(2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)methanone
(azepan-1-yl)(2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)methanone
Compound characteristics
| Compound ID: | D314-0287 |
| Compound Name: | (azepan-1-yl)(2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)methanone |
| Molecular Weight: | 443.01 |
| Molecular Formula: | C23 H27 Cl N4 O S |
| Smiles: | Cc1c(C(N2CCCCCC2)=O)sc(n1)n1c(C)c(Cc2ccc(cc2)[Cl])c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.4477 |
| logD: | 5.3946 |
| logSw: | -5.8058 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.762 |
| InChI Key: | KSTCWHGUPPEESY-UHFFFAOYSA-N |