4-acetyl-2-methyl-N-[3-(methylsulfanyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Chemical Structure Depiction of
4-acetyl-2-methyl-N-[3-(methylsulfanyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
4-acetyl-2-methyl-N-[3-(methylsulfanyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Compound characteristics
| Compound ID: | E589-0115 |
| Compound Name: | 4-acetyl-2-methyl-N-[3-(methylsulfanyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide |
| Molecular Weight: | 392.49 |
| Molecular Formula: | C18 H20 N2 O4 S2 |
| Smiles: | CC1CN(C(C)=O)c2cc(ccc2O1)S(Nc1cccc(c1)SC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0315 |
| logD: | 3.0277 |
| logSw: | -3.5871 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.989 |
| InChI Key: | YTZJXMLIWYEBJQ-GFCCVEGCSA-N |