3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[3-(methylsulfanyl)phenyl]butanamide
Chemical Structure Depiction of
3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[3-(methylsulfanyl)phenyl]butanamide
3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[3-(methylsulfanyl)phenyl]butanamide
Compound characteristics
| Compound ID: | E667-1345 |
| Compound Name: | 3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[3-(methylsulfanyl)phenyl]butanamide |
| Molecular Weight: | 434.53 |
| Molecular Formula: | C20 H22 N2 O5 S2 |
| Smiles: | CC(CC(Nc1cccc(c1)SC)=O)S(c1cc2c(cc1C)NC(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3643 |
| logD: | 2.3641 |
| logSw: | -2.9186 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.159 |
| InChI Key: | PGRCCJDRGPPMGW-ZDUSSCGKSA-N |