4-[4-(3-methylbutanamido)phenyl]-1-(3-methylphenyl)-3-(2-methylpropyl)-1H-pyrazol-5-yl acetate
Chemical Structure Depiction of
4-[4-(3-methylbutanamido)phenyl]-1-(3-methylphenyl)-3-(2-methylpropyl)-1H-pyrazol-5-yl acetate
4-[4-(3-methylbutanamido)phenyl]-1-(3-methylphenyl)-3-(2-methylpropyl)-1H-pyrazol-5-yl acetate
Compound characteristics
| Compound ID: | V022-1169 |
| Compound Name: | 4-[4-(3-methylbutanamido)phenyl]-1-(3-methylphenyl)-3-(2-methylpropyl)-1H-pyrazol-5-yl acetate |
| Molecular Weight: | 447.58 |
| Molecular Formula: | C27 H33 N3 O3 |
| Smiles: | CC(C)CC(Nc1ccc(cc1)c1c(CC(C)C)nn(c2cccc(C)c2)c1OC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3015 |
| logD: | 6.3015 |
| logSw: | -5.4741 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.49 |
| InChI Key: | GEIXPTYRZMHHEA-UHFFFAOYSA-N |