N~2~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3-chloro-4-fluorophenyl)valinamide
Chemical Structure Depiction of
N~2~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3-chloro-4-fluorophenyl)valinamide
N~2~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3-chloro-4-fluorophenyl)valinamide
Compound characteristics
| Compound ID: | C548-2929 |
| Compound Name: | N~2~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3-chloro-4-fluorophenyl)valinamide |
| Molecular Weight: | 442.92 |
| Molecular Formula: | C17 H16 Cl F N4 O3 S2 |
| Smiles: | CC(C)C(C(Nc1ccc(c(c1)[Cl])F)=O)NS(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6977 |
| logD: | 3.5218 |
| logSw: | -4.0683 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.878 |
| InChI Key: | XKHWSZGHAZIJLP-HNNXBMFYSA-N |