HuagongsheHuagongshe Chemistry Print Report · For research reference only
[2-(4-bromophenyl)-6-phenyl-4-thioxo-4H-1,3-oxazin-5-yl](phenyl)methanone
[2-(4-bromophenyl)-6-phenyl-4-thioxo-4H-1,3-oxazin-5-yl](phenyl)methanone
methanone molecular structure](/img/chemical/178891663.png)
Identifiers & Physical Properties
| CAS No. | 312287-61-9 |
|---|---|
| Molecular formula | C23H14BrNO2S |
| Average molar mass | 448.3 g/mol |
| SMILES | O=C(c1ccccc1)c1c(-c2ccccc2)oc(-c2ccc(Br)cc2)nc1=S |
| InChIKey | VTABORFSBSMVKA-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 6 |
|---|---|
| Topological polar surface area | 70.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 28 |
| Formal charge | 0 |
| Complexity | 666 |