3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(2-methylphenyl)butanamide
Chemical Structure Depiction of
3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(2-methylphenyl)butanamide
3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(2-methylphenyl)butanamide
Compound characteristics
| Compound ID: | E667-1314 |
| Compound Name: | 3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(2-methylphenyl)butanamide |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C20 H22 N2 O5 S |
| Smiles: | CC(CC(Nc1ccccc1C)=O)S(c1cc2c(cc1C)NC(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6982 |
| logD: | 1.698 |
| logSw: | -2.6246 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.461 |
| InChI Key: | HOUYAOKKWPOKQU-AWEZNQCLSA-N |