4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-1-(4-fluorophenyl)-3-(2-methylpropyl)-1H-pyrazol-5-yl acetate
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-1-(4-fluorophenyl)-3-(2-methylpropyl)-1H-pyrazol-5-yl acetate
4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-1-(4-fluorophenyl)-3-(2-methylpropyl)-1H-pyrazol-5-yl acetate
Compound characteristics
| Compound ID: | V017-2645 |
| Compound Name: | 4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-1-(4-fluorophenyl)-3-(2-methylpropyl)-1H-pyrazol-5-yl acetate |
| Molecular Weight: | 515.54 |
| Molecular Formula: | C29 H26 F N3 O5 |
| Smiles: | CC(C)Cc1c(c2ccc(cc2)NC(c2ccc3c(c2)OCO3)=O)c(n(c2ccc(cc2)F)n1)OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9614 |
| logD: | 5.9614 |
| logSw: | -5.5947 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.547 |
| InChI Key: | BOSHUSSWCUNTHH-UHFFFAOYSA-N |