5-{1-[3-(dimethylamino)benzoyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[3-(dimethylamino)benzoyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[3-(dimethylamino)benzoyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2325 |
| Compound Name: | 5-{1-[3-(dimethylamino)benzoyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C23 H27 N5 O2 |
| Smiles: | Cc1ccc(cc1)N1C(C2CCN(CC2)C(c2cccc(c2)N(C)C)=O)=NNC1=O |
| Stereo: | ACHIRAL |
| logP: | 3.4648 |
| logD: | 3.4416 |
| logSw: | -3.5992 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.589 |
| InChI Key: | RXMFMTRCBYUVRD-UHFFFAOYSA-N |