2-(3-bromophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(3-bromophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
2-(3-bromophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K076-0546 |
| Compound Name: | 2-(3-bromophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 374.25 |
| Molecular Formula: | C17 H12 Br N O2 S |
| Smiles: | CSc1ccc(/C=C2/C(=O)OC(c3cccc(c3)[Br])=N2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8403 |
| logD: | 4.8403 |
| logSw: | -4.8187 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.3756 |
| InChI Key: | CQLXCKHNAYJGPH-UHFFFAOYSA-N |