N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3,5-dimethyl-1-phenyl-1H-pyrazole-4-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3,5-dimethyl-1-phenyl-1H-pyrazole-4-sulfonyl)piperidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3,5-dimethyl-1-phenyl-1H-pyrazole-4-sulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F828-1252 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3,5-dimethyl-1-phenyl-1H-pyrazole-4-sulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C25 H28 N4 O5 S |
| Smiles: | Cc1c(c(C)n(c2ccccc2)n1)S(N1CCC(CC1)C(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1806 |
| logD: | 2.1806 |
| logSw: | -2.7922 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.896 |
| InChI Key: | XJPKBSWHUSRHND-UHFFFAOYSA-N |