5-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-methyl-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]-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0658 |
| Compound Name: | 5-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C22 H22 N4 O4 |
| Smiles: | CN1C(N(C(C2CCN(CC2)C(c2ccc3c(c2)OCO3)=O)=N1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5507 |
| logD: | 2.5505 |
| logSw: | -2.7545 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.249 |
| InChI Key: | IGHSPTASGBWOTR-UHFFFAOYSA-N |