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 |