4-[4-(3,3-dimethylbutanamido)phenyl]-1-(4-methylphenyl)-3-(propan-2-yl)-1H-pyrazol-5-yl acetate
Chemical Structure Depiction of
4-[4-(3,3-dimethylbutanamido)phenyl]-1-(4-methylphenyl)-3-(propan-2-yl)-1H-pyrazol-5-yl acetate
4-[4-(3,3-dimethylbutanamido)phenyl]-1-(4-methylphenyl)-3-(propan-2-yl)-1H-pyrazol-5-yl acetate
Compound characteristics
| Compound ID: | V016-8971 |
| Compound Name: | 4-[4-(3,3-dimethylbutanamido)phenyl]-1-(4-methylphenyl)-3-(propan-2-yl)-1H-pyrazol-5-yl acetate |
| Molecular Weight: | 447.58 |
| Molecular Formula: | C27 H33 N3 O3 |
| Smiles: | CC(C)c1c(c2ccc(cc2)NC(CC(C)(C)C)=O)c(n(c2ccc(C)cc2)n1)OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6391 |
| logD: | 6.6391 |
| logSw: | -5.7854 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.995 |
| InChI Key: | DYAMAASWCGNBOT-UHFFFAOYSA-N |