5-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2117 |
| Compound Name: | 5-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 392.41 |
| Molecular Formula: | C21 H20 N4 O4 |
| Smiles: | C1CN(CCC1C1=NNC(N1c1ccccc1)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5247 |
| logD: | 2.5015 |
| logSw: | -3.0206 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.899 |
| InChI Key: | KQZXZVNNXOHPKW-UHFFFAOYSA-N |