5-benzyl-4-{1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-benzyl-4-{1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-benzyl-4-{1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | CM4613-6083 |
| Compound Name: | 5-benzyl-4-{1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 390.53 |
| Molecular Formula: | C24 H30 N4 O |
| Smiles: | Cc1ccc(CN2CCC(CC2)N2C(Cc3ccccc3)=NN(C)C2=O)cc1C |
| Stereo: | ACHIRAL |
| logP: | 4.6536 |
| logD: | 2.8989 |
| logSw: | -4.4068 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.714 |
| InChI Key: | XWUWUKKPTNZWTN-UHFFFAOYSA-N |