5-benzyl-4-[1-(3,3-dimethylbutyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-benzyl-4-[1-(3,3-dimethylbutyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-benzyl-4-[1-(3,3-dimethylbutyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | CM4613-6266 |
| Compound Name: | 5-benzyl-4-[1-(3,3-dimethylbutyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 356.51 |
| Molecular Formula: | C21 H32 N4 O |
| Smiles: | CC(C)(C)CCN1CCC(CC1)N1C(Cc2ccccc2)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.959 |
| logD: | 2.0403 |
| logSw: | -4.0542 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.964 |
| InChI Key: | MNEYPRDQOLRQRQ-UHFFFAOYSA-N |