2,5-dimethyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2,5-dimethyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
2,5-dimethyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0046 |
| Compound Name: | 2,5-dimethyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 306.38 |
| Molecular Formula: | C14 H18 N4 O2 S |
| Smiles: | CC1=NN(C)C(N1C1CCN(CC1)C(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8119 |
| logD: | 1.8118 |
| logSw: | -2.0489 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.828 |
| InChI Key: | IPJGCGKKFWGIIC-UHFFFAOYSA-N |