N-benzyl-2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
Chemical Structure Depiction of
N-benzyl-2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
N-benzyl-2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | D314-0679 |
| Compound Name: | N-benzyl-2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 474.62 |
| Molecular Formula: | C27 H30 N4 O2 S |
| Smiles: | Cc1ccc(Cc2c(C)nn(c2C)c2nc(C)c(C(N(CCO)Cc3ccccc3)=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8064 |
| logD: | 4.7154 |
| logSw: | -4.4707 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.627 |
| InChI Key: | XKTVWAOLBGKGIB-UHFFFAOYSA-N |