N-(4-bromo-3-methylphenyl)-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
N-(4-bromo-3-methylphenyl)-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | G305-2144 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 454.3 |
| Molecular Formula: | C17 H16 Br N3 O5 S |
| Smiles: | Cc1cc(ccc1[Br])NC(CCNS(c1ccc2c(c1)OC(N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.932 |
| logD: | 2.8984 |
| logSw: | -3.4912 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.405 |
| InChI Key: | NHWHBIHKWBFYTF-UHFFFAOYSA-N |