2-(3-bromo-4-methoxyphenyl)-4-{[4-(propan-2-yl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(3-bromo-4-methoxyphenyl)-4-{[4-(propan-2-yl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
2-(3-bromo-4-methoxyphenyl)-4-{[4-(propan-2-yl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-3082 |
| Compound Name: | 2-(3-bromo-4-methoxyphenyl)-4-{[4-(propan-2-yl)phenyl]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 400.27 |
| Molecular Formula: | C20 H18 Br N O3 |
| Smiles: | CC(C)c1ccc(\C=C2/C(=O)OC(c3ccc(c(c3)[Br])OC)=N2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2483 |
| logD: | 5.2483 |
| logSw: | -5.2384 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.006 |
| InChI Key: | KFGGPFVETMSLQG-UHFFFAOYSA-N |