1-(azepan-1-yl)-2-[5-hydroxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-[5-hydroxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]ethan-1-one
1-(azepan-1-yl)-2-[5-hydroxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]ethan-1-one
Compound characteristics
| Compound ID: | D475-0082 |
| Compound Name: | 1-(azepan-1-yl)-2-[5-hydroxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]ethan-1-one |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Smiles: | Cc1c(CC(N2CCCCCC2)=O)c(n(c2nc(cs2)c2ccccc2)n1)O |
| Stereo: | ACHIRAL |
| logP: | 3.9636 |
| logD: | 1.4731 |
| logSw: | -3.9734 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.089 |
| InChI Key: | UVKASKMGLPMUOU-UHFFFAOYSA-N |