2-(3-bromo-4-methoxyphenyl)-4-{[4-(octyloxy)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(3-bromo-4-methoxyphenyl)-4-{[4-(octyloxy)phenyl]methylidene}-1,3-oxazol-5(4H)-one
2-(3-bromo-4-methoxyphenyl)-4-{[4-(octyloxy)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-3104 |
| Compound Name: | 2-(3-bromo-4-methoxyphenyl)-4-{[4-(octyloxy)phenyl]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 486.41 |
| Molecular Formula: | C25 H28 Br N O4 |
| Smiles: | CCCCCCCCOc1ccc(/C=C2/C(=O)OC(c3ccc(c(c3)[Br])OC)=N2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.3804 |
| logD: | 7.3804 |
| logSw: | -5.7205 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.424 |
| InChI Key: | QYKVAWPYFBXXKJ-UHFFFAOYSA-N |