N-(2-bromo-4-methylphenyl)-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)propanamide
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)propanamide
N-(2-bromo-4-methylphenyl)-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)propanamide
Compound characteristics
| Compound ID: | E511-0353 |
| Compound Name: | N-(2-bromo-4-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: | Cc1ccc(c(c1)[Br])NC(CCS(c1ccc2c(c1)NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8211 |
| logD: | 1.8209 |
| logSw: | -2.5271 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.725 |
| InChI Key: | HYIKGVYNQYBNQY-UHFFFAOYSA-N |