N-(4-bromo-3-methylphenyl)-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)propanamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)propanamide
N-(4-bromo-3-methylphenyl)-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)propanamide
Compound characteristics
| Compound ID: | E511-0254 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)propanamide |
| Molecular Weight: | 453.31 |
| Molecular Formula: | C18 H17 Br N2 O5 S |
| Smiles: | Cc1cc(ccc1[Br])NC(CCS(c1ccc2c(c1)NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2143 |
| logD: | 2.2135 |
| logSw: | -2.8544 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.423 |
| InChI Key: | AIWZLVGSAAAVPV-UHFFFAOYSA-N |