Nalpha-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3-nitrophenyl)phenylalaninamide
Chemical Structure Depiction of
Nalpha-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3-nitrophenyl)phenylalaninamide
Nalpha-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3-nitrophenyl)phenylalaninamide
Compound characteristics
| Compound ID: | C481-0598 |
| Compound Name: | Nalpha-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3-nitrophenyl)phenylalaninamide |
| Molecular Weight: | 483.52 |
| Molecular Formula: | C21 H17 N5 O5 S2 |
| Smiles: | C(C(C(Nc1cccc(c1)[N+]([O-])=O)=O)NS(c1cccc2c1nsn2)(=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9187 |
| logD: | 3.8885 |
| logSw: | -4.2311 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.266 |
| InChI Key: | AIBIRFRKTAXTCX-SFHVURJKSA-N |