N-(4-chloro-2-fluorophenyl)-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide
N-(4-chloro-2-fluorophenyl)-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide
Compound characteristics
| Compound ID: | E667-1376 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide |
| Molecular Weight: | 440.88 |
| Molecular Formula: | C19 H18 Cl F N2 O5 S |
| Smiles: | CC(CC(Nc1ccc(cc1F)[Cl])=O)S(c1cc2c(cc1C)NC(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5252 |
| logD: | 2.4037 |
| logSw: | -3.2768 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.461 |
| InChI Key: | JSJDFSCIRPEZOY-NSHDSACASA-N |