2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-1-(4-methylpiperidin-1-yl)ethan-1-one
2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D475-0253 |
| Compound Name: | 2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 430.96 |
| Molecular Formula: | C21 H23 Cl N4 O2 S |
| Smiles: | CC1CCN(CC1)C(Cc1c(C)nn(c1O)c1nc(cs1)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4978 |
| logD: | 2.0074 |
| logSw: | -4.5248 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.758 |
| InChI Key: | XIMVASXYUCQDGG-UHFFFAOYSA-N |