3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(4-fluoro-2-methylphenyl)propanamide
Chemical Structure Depiction of
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(4-fluoro-2-methylphenyl)propanamide
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(4-fluoro-2-methylphenyl)propanamide
Compound characteristics
Compound ID: | E511-0667 |
Compound Name: | 3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(4-fluoro-2-methylphenyl)propanamide |
Molecular Weight: | 426.85 |
Molecular Formula: | C18 H16 Cl F N2 O5 S |
Smiles: | Cc1cc(ccc1NC(CCS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O)F |
Stereo: | ACHIRAL |
logP: | 1.8476 |
logD: | 1.8261 |
logSw: | -2.8475 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 84.725 |
InChI Key: | PZUCUHYDQWLPDP-UHFFFAOYSA-N |