N~2~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]valinamide
Chemical Structure Depiction of
N~2~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]valinamide
N~2~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]valinamide
Compound characteristics
| Compound ID: | C548-2952 |
| Compound Name: | N~2~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]valinamide |
| Molecular Weight: | 458.6 |
| Molecular Formula: | C15 H18 N6 O3 S4 |
| Smiles: | CCSc1nnc(NC(C(C(C)C)NS(c2cccc3c2nsn3)(=O)=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.489 |
| logD: | 3.4214 |
| logSw: | -3.6314 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.784 |
| InChI Key: | UCIHWRMVOWVPLV-NSHDSACASA-N |