N-[(2H-1,3-benzodioxol-5-yl)methyl]-Nalpha-(2,1,3-benzothiadiazole-4-sulfonyl)phenylalaninamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-Nalpha-(2,1,3-benzothiadiazole-4-sulfonyl)phenylalaninamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-Nalpha-(2,1,3-benzothiadiazole-4-sulfonyl)phenylalaninamide
Compound characteristics
| Compound ID: | C481-0633 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-Nalpha-(2,1,3-benzothiadiazole-4-sulfonyl)phenylalaninamide |
| Molecular Weight: | 496.56 |
| Molecular Formula: | C23 H20 N4 O5 S2 |
| Smiles: | C(C(C(NCc1ccc2c(c1)OCO2)=O)NS(c1cccc2c1nsn2)(=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1138 |
| logD: | 3.1014 |
| logSw: | -3.3962 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.322 |
| InChI Key: | ZLFKRVWFHLDWKP-SFHVURJKSA-N |