2,5-dimethyl-4-[1-(thiophene-2-sulfonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2,5-dimethyl-4-[1-(thiophene-2-sulfonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
2,5-dimethyl-4-[1-(thiophene-2-sulfonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0283 |
| Compound Name: | 2,5-dimethyl-4-[1-(thiophene-2-sulfonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 342.44 |
| Molecular Formula: | C13 H18 N4 O3 S2 |
| Smiles: | CC1=NN(C)C(N1C1CCN(CC1)S(c1cccs1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6108 |
| logD: | 1.6108 |
| logSw: | -2.0454 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.891 |
| InChI Key: | CAHUEELPGPBQCE-UHFFFAOYSA-N |