3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(3-fluoro-4-methylphenyl)propanamide
Chemical Structure Depiction of
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(3-fluoro-4-methylphenyl)propanamide
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(3-fluoro-4-methylphenyl)propanamide
Compound characteristics
Compound ID: | E511-0643 |
Compound Name: | 3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(3-fluoro-4-methylphenyl)propanamide |
Molecular Weight: | 426.85 |
Molecular Formula: | C18 H16 Cl F N2 O5 S |
Smiles: | Cc1ccc(cc1F)NC(CCS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.4784 |
logD: | 2.4569 |
logSw: | -3.2283 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 85.423 |
InChI Key: | ALJGTQWQZAUKGZ-UHFFFAOYSA-N |