N-(4-acetylphenyl)-2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxamide
N-(4-acetylphenyl)-2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | D314-0493 |
| Compound Name: | N-(4-acetylphenyl)-2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C26 H24 N4 O4 S |
| Smiles: | CC(c1ccc(cc1)NC(c1c(C)nc(n2c(C)c(Cc3ccc4c(c3)OCO4)c(C)n2)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4319 |
| logD: | 4.4082 |
| logSw: | -4.4011 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.816 |
| InChI Key: | IUIUUPXJEJJHIA-UHFFFAOYSA-N |