4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-3-(3,5-dimethoxyphenyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-3-(3,5-dimethoxyphenyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate
4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-3-(3,5-dimethoxyphenyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate
Compound characteristics
| Compound ID: | V015-4512 |
| Compound Name: | 4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-3-(3,5-dimethoxyphenyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate |
| Molecular Weight: | 591.62 |
| Molecular Formula: | C34 H29 N3 O7 |
| Smiles: | CC(=O)Oc1c(c2ccc(cc2)NC(c2ccc3c(c2)OCO3)=O)c(c2cc(cc(c2)OC)OC)nn1c1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.6656 |
| logD: | 6.6656 |
| logSw: | -5.6739 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.868 |
| InChI Key: | ZZTBEGUTWPGIAC-UHFFFAOYSA-N |