2-{2-[4-(methylsulfanyl)phenyl]ethenyl}-4H-1,3-benzoxazin-4-one
Chemical Structure Depiction of
2-{2-[4-(methylsulfanyl)phenyl]ethenyl}-4H-1,3-benzoxazin-4-one
2-{2-[4-(methylsulfanyl)phenyl]ethenyl}-4H-1,3-benzoxazin-4-one
Compound characteristics
| Compound ID: | 8158-0009 |
| Compound Name: | 2-{2-[4-(methylsulfanyl)phenyl]ethenyl}-4H-1,3-benzoxazin-4-one |
| Molecular Weight: | 295.36 |
| Molecular Formula: | C17 H13 N O2 S |
| Smiles: | CSc1ccc(/C=C/C2=NC(c3ccccc3O2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7623 |
| logD: | 3.7623 |
| logSw: | -4.1318 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.0169 |
| InChI Key: | LYBNUZNMBSWOSP-UHFFFAOYSA-N |