1-(azepan-1-yl)-2-{1-[4-(4-chlorophenyl)-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-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}ethan-1-one
1-(azepan-1-yl)-2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D475-0265 |
| Compound Name: | 1-(azepan-1-yl)-2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}ethan-1-one |
| Molecular Weight: | 430.96 |
| Molecular Formula: | C21 H23 Cl N4 O2 S |
| Smiles: | Cc1c(CC(N2CCCCCC2)=O)c(n(c2nc(cs2)c2ccc(cc2)[Cl])n1)O |
| Stereo: | ACHIRAL |
| logP: | 4.6634 |
| logD: | 2.1729 |
| logSw: | -4.6105 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.089 |
| InChI Key: | XIEJPFFBYCNJEX-UHFFFAOYSA-N |