1-(azepan-1-yl)-2-(2-{4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-1,3-thiazol-4-yl)ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-(2-{4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-1,3-thiazol-4-yl)ethan-1-one
1-(azepan-1-yl)-2-(2-{4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-1,3-thiazol-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | D351-0988 |
| Compound Name: | 1-(azepan-1-yl)-2-(2-{4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-1,3-thiazol-4-yl)ethan-1-one |
| Molecular Weight: | 443.01 |
| Molecular Formula: | C23 H27 Cl N4 O S |
| Smiles: | Cc1c(Cc2ccccc2[Cl])c(C)n(c2nc(CC(N3CCCCCC3)=O)cs2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.4317 |
| logD: | 5.4315 |
| logSw: | -5.7622 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.153 |
| InChI Key: | KOZJIXRATWMNBD-UHFFFAOYSA-N |