4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-1,3-bis(4-methylphenyl)-1H-pyrazol-5-yl acetate
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-1,3-bis(4-methylphenyl)-1H-pyrazol-5-yl acetate
4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-1,3-bis(4-methylphenyl)-1H-pyrazol-5-yl acetate
Compound characteristics
| Compound ID: | V021-9777 |
| Compound Name: | 4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-1,3-bis(4-methylphenyl)-1H-pyrazol-5-yl acetate |
| Molecular Weight: | 545.6 |
| Molecular Formula: | C33 H27 N3 O5 |
| Smiles: | CC(=O)Oc1c(c2ccc(cc2)NC(c2ccc3c(c2)OCO3)=O)c(c2ccc(C)cc2)nn1c1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.86 |
| logD: | 6.86 |
| logSw: | -5.6881 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.781 |
| InChI Key: | XCJRTGPBUNCJKW-UHFFFAOYSA-N |