1-(4-methylphenyl)-3-(2-methylpropyl)-4-[4-(2-phenylacetamido)phenyl]-1H-pyrazol-5-yl acetate
Chemical Structure Depiction of
1-(4-methylphenyl)-3-(2-methylpropyl)-4-[4-(2-phenylacetamido)phenyl]-1H-pyrazol-5-yl acetate
1-(4-methylphenyl)-3-(2-methylpropyl)-4-[4-(2-phenylacetamido)phenyl]-1H-pyrazol-5-yl acetate
Compound characteristics
| Compound ID: | V015-6660 |
| Compound Name: | 1-(4-methylphenyl)-3-(2-methylpropyl)-4-[4-(2-phenylacetamido)phenyl]-1H-pyrazol-5-yl acetate |
| Molecular Weight: | 481.59 |
| Molecular Formula: | C30 H31 N3 O3 |
| Smiles: | CC(C)Cc1c(c2ccc(cc2)NC(Cc2ccccc2)=O)c(n(c2ccc(C)cc2)n1)OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3222 |
| logD: | 6.3222 |
| logSw: | -5.6467 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.218 |
| InChI Key: | SIMSQTVJOTUISH-UHFFFAOYSA-N |