5-benzyl-2-methyl-4-{1-[(thiophen-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-[(thiophen-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
5-benzyl-2-methyl-4-{1-[(thiophen-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | CM4613-6627 |
| Compound Name: | 5-benzyl-2-methyl-4-{1-[(thiophen-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 368.5 |
| Molecular Formula: | C20 H24 N4 O S |
| Smiles: | CN1C(N(C2CCN(CC2)Cc2cccs2)C(Cc2ccccc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5045 |
| logD: | 2.7227 |
| logSw: | -3.5897 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.733 |
| InChI Key: | AOWIWHKEWIIPEK-UHFFFAOYSA-N |