4-benzyl-2-methyl-5-[1-(3-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-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
4-benzyl-2-methyl-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0868 |
| Compound Name: | 4-benzyl-2-methyl-5-[1-(3-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: | Cc1ccsc1C(N1CCC(CC1)C1=NN(C)C(N1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8118 |
| logD: | 3.8117 |
| logSw: | -3.7285 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.763 |
| InChI Key: | URPLVDKBHNZWHV-UHFFFAOYSA-N |