3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-bromo-2-methylphenyl)propanamide
Chemical Structure Depiction of
3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-bromo-2-methylphenyl)propanamide
3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-bromo-2-methylphenyl)propanamide
Compound characteristics
| Compound ID: | C105-0552 |
| Compound Name: | 3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-bromo-2-methylphenyl)propanamide |
| Molecular Weight: | 424.27 |
| Molecular Formula: | C16 H14 Br N3 O4 S |
| Smiles: | Cc1cc(ccc1NC(CCS(c1cccc2c1non2)(=O)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.3033 |
| logD: | 3.3013 |
| logSw: | -3.584 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.545 |
| InChI Key: | DFUAVFYALMDUNF-UHFFFAOYSA-N |