3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(2-bromo-4-methylphenyl)propanamide
Chemical Structure Depiction of
3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(2-bromo-4-methylphenyl)propanamide
3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(2-bromo-4-methylphenyl)propanamide
Compound characteristics
| Compound ID: | C105-0472 |
| Compound Name: | 3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(2-bromo-4-methylphenyl)propanamide |
| Molecular Weight: | 424.27 |
| Molecular Formula: | C16 H14 Br N3 O4 S |
| Smiles: | Cc1ccc(c(c1)[Br])NC(CCS(c1cccc2c1non2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2665 |
| logD: | 3.2663 |
| logSw: | -3.431 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.545 |
| InChI Key: | NPNZPZSHEAYNFN-UHFFFAOYSA-N |