2-(3-bromo-4-methoxyphenyl)-4-{[4-(dimethylamino)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(3-bromo-4-methoxyphenyl)-4-{[4-(dimethylamino)phenyl]methylidene}-1,3-oxazol-5(4H)-one
2-(3-bromo-4-methoxyphenyl)-4-{[4-(dimethylamino)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-3089 |
| Compound Name: | 2-(3-bromo-4-methoxyphenyl)-4-{[4-(dimethylamino)phenyl]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 401.26 |
| Molecular Formula: | C19 H17 Br N2 O3 |
| Smiles: | CN(C)c1ccc(\C=C2/C(=O)OC(c3ccc(c(c3)[Br])OC)=N2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0001 |
| logD: | 4.0001 |
| logSw: | -4.3987 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.811 |
| InChI Key: | VNTJUHXVOKGQQL-UHFFFAOYSA-N |