2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-N-(2-methylphenyl)-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-(2-methylphenyl)-1,3-thiazole-5-carboxamide
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | D314-0512 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C25 H24 N4 O3 S |
| Smiles: | Cc1ccccc1NC(c1c(C)nc(n2c(C)c(Cc3ccc4c(c3)OCO4)c(C)n2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8828 |
| logD: | 4.8824 |
| logSw: | -4.6799 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.291 |
| InChI Key: | IFUHYDSJGRWHEC-UHFFFAOYSA-N |