N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(2-methylphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(2-methylphenyl)-beta-alaninamide
N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(2-methylphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C105-1488 |
| Compound Name: | N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(2-methylphenyl)-beta-alaninamide |
| Molecular Weight: | 360.39 |
| Molecular Formula: | C16 H16 N4 O4 S |
| Smiles: | Cc1ccccc1NC(CCNS(c1cccc2c1non2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1443 |
| logD: | 2.1389 |
| logSw: | -2.5942 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.38 |
| InChI Key: | CHGUCXYQXAEOFA-UHFFFAOYSA-N |