N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carboxamide
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | D356-0791 |
| Compound Name: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carboxamide |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C25 H30 N4 O4 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(C1CCN(CC1)S(Cc1cccc(C)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9104 |
| logD: | 1.749 |
| logSw: | -2.664 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.316 |
| InChI Key: | YVOPLXNILHINMJ-UHFFFAOYSA-N |