N-(3-acetylphenyl)-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide
N-(3-acetylphenyl)-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | E511-0125 |
| Compound Name: | N-(3-acetylphenyl)-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide |
| Molecular Weight: | 416.45 |
| Molecular Formula: | C20 H20 N2 O6 S |
| Smiles: | CC(c1cccc(c1)NC(CCS(c1cc2c(cc1C)NC(CO2)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3101 |
| logD: | 1.3091 |
| logSw: | -2.2465 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.249 |
| InChI Key: | MOCYBBNVGIWBTR-UHFFFAOYSA-N |