N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(3-methylphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(3-methylphenyl)-beta-alaninamide
N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(3-methylphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C105-1611 |
| Compound Name: | N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(3-methylphenyl)-beta-alaninamide |
| Molecular Weight: | 360.39 |
| Molecular Formula: | C16 H16 N4 O4 S |
| Smiles: | Cc1cccc(c1)NC(CCNS(c1cccc2c1non2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7094 |
| logD: | 2.704 |
| logSw: | -3.0768 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.077 |
| InChI Key: | UDUPABVNKTWYSR-UHFFFAOYSA-N |