4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-1-(2,4-dimethylphenyl)-3-(3-methylphenyl)-1H-pyrazol-5-yl acetate
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-1-(2,4-dimethylphenyl)-3-(3-methylphenyl)-1H-pyrazol-5-yl acetate
4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-1-(2,4-dimethylphenyl)-3-(3-methylphenyl)-1H-pyrazol-5-yl acetate
Compound characteristics
| Compound ID: | V012-8555 |
| Compound Name: | 4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-1-(2,4-dimethylphenyl)-3-(3-methylphenyl)-1H-pyrazol-5-yl acetate |
| Molecular Weight: | 559.62 |
| Molecular Formula: | C34 H29 N3 O5 |
| Smiles: | CC(=O)Oc1c(c2ccc(cc2)NC(c2ccc3c(c2)OCO3)=O)c(c2cccc(C)c2)nn1c1ccc(C)cc1C |
| Stereo: | ACHIRAL |
| logP: | 7.5708 |
| logD: | 7.5708 |
| logSw: | -5.6649 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.48 |
| InChI Key: | ZWUAJCBWPPZREG-UHFFFAOYSA-N |