N-{1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | P014-0680 |
| Compound Name: | N-{1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 446.51 |
| Molecular Formula: | C25 H26 N4 O4 |
| Smiles: | Cc1ccc(c(C)c1)c1cc(C(N2CCC(CC2)NC(c2ccc3c(c2)OCO3)=O)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9177 |
| logD: | 3.9173 |
| logSw: | -3.9184 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.438 |
| InChI Key: | RLQXIJDLVNTIOY-UHFFFAOYSA-N |