(azepan-1-yl)(2-{5-hydroxy-3-methyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)methanone
Chemical Structure Depiction of
(azepan-1-yl)(2-{5-hydroxy-3-methyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)methanone
(azepan-1-yl)(2-{5-hydroxy-3-methyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)methanone
Compound characteristics
| Compound ID: | D475-2058 |
| Compound Name: | (azepan-1-yl)(2-{5-hydroxy-3-methyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)methanone |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C23 H28 N4 O2 S |
| Smiles: | [H]C([H])(c1ccc(C)cc1)c1c(C)nn(c1O)c1nc(C)c(C(N2CCCCCC2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.5279 |
| logD: | 3.1182 |
| logSw: | -4.1632 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.193 |
| InChI Key: | KTIHCPIUVWCYSD-UHFFFAOYSA-N |