N-(4-bromo-3-methylphenyl)-3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)propanamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)propanamide
N-(4-bromo-3-methylphenyl)-3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)propanamide
Compound characteristics
| Compound ID: | E975-1161 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)propanamide |
| Molecular Weight: | 453.31 |
| Molecular Formula: | C18 H17 Br N2 O5 S |
| Smiles: | Cc1cc(ccc1[Br])NC(CCS(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7051 |
| logD: | 2.7043 |
| logSw: | -3.3866 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.018 |
| InChI Key: | KEGQXEKJXXWLLB-UHFFFAOYSA-N |