5-benzyl-2-methyl-4-{1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-benzyl-2-methyl-4-{1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
5-benzyl-2-methyl-4-{1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | CM4613-6119 |
| Compound Name: | 5-benzyl-2-methyl-4-{1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 382.53 |
| Molecular Formula: | C21 H26 N4 O S |
| Smiles: | Cc1ccsc1CN1CCC(CC1)N1C(Cc2ccccc2)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.9624 |
| logD: | 3.3526 |
| logSw: | -4.0141 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.733 |
| InChI Key: | NCJGOCQSXSTZGT-UHFFFAOYSA-N |