1-(azepan-1-yl)-2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethan-1-one
1-(azepan-1-yl)-2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethan-1-one
Compound characteristics
| Compound ID: | D475-0387 |
| Compound Name: | 1-(azepan-1-yl)-2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethan-1-one |
| Molecular Weight: | 348.47 |
| Molecular Formula: | C17 H24 N4 O2 S |
| Smiles: | Cc1c(C)sc(n1)n1c(c(CC(N2CCCCCC2)=O)c(C)n1)O |
| Stereo: | ACHIRAL |
| logP: | 2.4873 |
| logD: | 2.4873 |
| logSw: | -2.1492 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.937 |
| InChI Key: | UKRHTCJUGOBJCE-UHFFFAOYSA-N |