N-(3-chloro-4-fluorophenyl)-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanamide
N-(3-chloro-4-fluorophenyl)-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanamide
Compound characteristics
| Compound ID: | E667-1165 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanamide |
| Molecular Weight: | 426.85 |
| Molecular Formula: | C18 H16 Cl F N2 O5 S |
| Smiles: | CC(CC(Nc1ccc(c(c1)[Cl])F)=O)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2787 |
| logD: | 2.1587 |
| logSw: | -3.1554 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.159 |
| InChI Key: | YXKJEFONOVXKCJ-JTQLQIEISA-N |