N-(2-bromo-4-methylphenyl)-3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide
N-(2-bromo-4-methylphenyl)-3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | E511-0600 |
| Compound Name: | N-(2-bromo-4-methylphenyl)-3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide |
| Molecular Weight: | 487.75 |
| Molecular Formula: | C18 H16 Br Cl N2 O5 S |
| Smiles: | Cc1ccc(c(c1)[Br])NC(CCS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.61 |
| logD: | 2.5886 |
| logSw: | -3.2379 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.725 |
| InChI Key: | RCGKFUOCSOOJNF-UHFFFAOYSA-N |