2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-N-phenyl-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}-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | D314-0485 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 446.53 |
| Molecular Formula: | C24 H22 N4 O3 S |
| Smiles: | Cc1c(C(Nc2ccccc2)=O)sc(n1)n1c(C)c(Cc2ccc3c(c2)OCO3)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.698 |
| logD: | 4.6978 |
| logSw: | -4.5465 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.989 |
| InChI Key: | ZEFVIQMBHKTZAV-UHFFFAOYSA-N |