4-(3-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-sulfonyl)-2,1,3-benzothiadiazole
Chemical Structure Depiction of
4-(3-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-sulfonyl)-2,1,3-benzothiadiazole
4-(3-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-sulfonyl)-2,1,3-benzothiadiazole
Compound characteristics
| Compound ID: | T501-0392 |
| Compound Name: | 4-(3-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-sulfonyl)-2,1,3-benzothiadiazole |
| Molecular Weight: | 406.53 |
| Molecular Formula: | C17 H22 N6 O2 S2 |
| Smiles: | CC(C)n1cnnc1CC1CCCN(C1)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2974 |
| logD: | 2.2959 |
| logSw: | -2.5223 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.959 |
| InChI Key: | XAQORSCWTPAAPT-CYBMUJFWSA-N |