methyl N-(2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carbonyl)alaninate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl N-(2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carbonyl)alaninate--hydrogen chloride (1/1)
methyl N-(2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carbonyl)alaninate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D314-0712 |
| Compound Name: | methyl N-(2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carbonyl)alaninate--hydrogen chloride (1/1) |
| Molecular Weight: | 463 |
| Molecular Formula: | C22 H26 N4 O3 S |
| Salt: | HCl |
| Smiles: | CC(C(=O)OC)NC(c1c(C)nc(n2c(C)c(Cc3ccc(C)cc3)c(C)n2)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8772 |
| logD: | 3.8741 |
| logSw: | -4.1093 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.804 |
| InChI Key: | MZVFGSZAODHMSZ-HNNXBMFYSA-N |