N~2~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-methylphenyl)valinamide
Chemical Structure Depiction of
N~2~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-methylphenyl)valinamide
N~2~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-methylphenyl)valinamide
Compound characteristics
| Compound ID: | C548-2974 |
| Compound Name: | N~2~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-methylphenyl)valinamide |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C18 H20 N4 O3 S2 |
| Smiles: | CC(C)C(C(Nc1ccc(C)cc1)=O)NS(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.391 |
| logD: | 3.3818 |
| logSw: | -3.6451 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.878 |
| InChI Key: | QBQWPVJTVIYFKY-INIZCTEOSA-N |