5-benzyl-2-methyl-4-[1-(pentan-3-yl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-benzyl-2-methyl-4-[1-(pentan-3-yl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-benzyl-2-methyl-4-[1-(pentan-3-yl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | CM4613-6642 |
| Compound Name: | 5-benzyl-2-methyl-4-[1-(pentan-3-yl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 342.48 |
| Molecular Formula: | C20 H30 N4 O |
| Smiles: | CCC(CC)N1CCC(CC1)N1C(Cc2ccccc2)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.7352 |
| logD: | 1.2978 |
| logSw: | -3.9904 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.207 |
| InChI Key: | OBRGGYBKBRIBST-UHFFFAOYSA-N |