N-(4-bromo-3-methylphenyl)-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide
N-(4-bromo-3-methylphenyl)-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide
Compound characteristics
| Compound ID: | E667-1348 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide |
| Molecular Weight: | 481.36 |
| Molecular Formula: | C20 H21 Br N2 O5 S |
| Smiles: | CC(CC(Nc1ccc(c(C)c1)[Br])=O)S(c1cc2c(cc1C)NC(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0779 |
| logD: | 3.0767 |
| logSw: | -3.2812 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.159 |
| InChI Key: | HVAWDGBCXCODPE-ZDUSSCGKSA-N |