4-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-4-yl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-4-yl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-4-yl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0293 |
| Compound Name: | 4-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-4-yl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C15 H18 N6 O3 S2 |
| Smiles: | CC1=NN(C)C(N1C1CCN(CC1)S(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9238 |
| logD: | 1.9237 |
| logSw: | -2.1236 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.825 |
| InChI Key: | HGOFITPVKYXIML-UHFFFAOYSA-N |