4-benzyl-2-methyl-5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-benzyl-2-methyl-5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
4-benzyl-2-methyl-5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0876 |
| Compound Name: | 4-benzyl-2-methyl-5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Smiles: | Cc1ccc(C(N2CCC(CC2)C2=NN(C)C(N2Cc2ccccc2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0818 |
| logD: | 4.0817 |
| logSw: | -4.0216 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.763 |
| InChI Key: | BTWONPOHRLJGKQ-UHFFFAOYSA-N |