2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | D314-0504 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 480.97 |
| Molecular Formula: | C24 H21 Cl N4 O3 S |
| Smiles: | Cc1c(C(Nc2ccc(cc2)[Cl])=O)sc(n1)n1c(C)c(Cc2ccc3c(c2)OCO3)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.4845 |
| logD: | 5.4723 |
| logSw: | -5.9257 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.989 |
| InChI Key: | HGUXGBORCZBGLI-UHFFFAOYSA-N |