2-(2-bromophenyl)-4-{[4-(octyloxy)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(2-bromophenyl)-4-{[4-(octyloxy)phenyl]methylidene}-1,3-oxazol-5(4H)-one
2-(2-bromophenyl)-4-{[4-(octyloxy)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K076-0338 |
| Compound Name: | 2-(2-bromophenyl)-4-{[4-(octyloxy)phenyl]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 456.38 |
| Molecular Formula: | C24 H26 Br N O3 |
| Smiles: | CCCCCCCCOc1ccc(/C=C2/C(=O)OC(c3ccccc3[Br])=N2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.0413 |
| logD: | 7.0413 |
| logSw: | -5.8329 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.793 |
| InChI Key: | NPDBDVFUPRHOJA-UHFFFAOYSA-N |