N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-ethylphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-ethylphenyl)-beta-alaninamide
N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-ethylphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C105-1453 |
| Compound Name: | N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-ethylphenyl)-beta-alaninamide |
| Molecular Weight: | 374.42 |
| Molecular Formula: | C17 H18 N4 O4 S |
| Smiles: | CCc1ccc(cc1)NC(CCNS(c1cccc2c1non2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2801 |
| logD: | 3.2747 |
| logSw: | -3.5524 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.077 |
| InChI Key: | HJSFCSZMLBTTAC-UHFFFAOYSA-N |