4-[(3-bromo-4-butoxy-5-methoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(3-bromo-4-butoxy-5-methoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5(4H)-one
4-[(3-bromo-4-butoxy-5-methoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 5752-4109 |
| Compound Name: | 4-[(3-bromo-4-butoxy-5-methoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5(4H)-one |
| Molecular Weight: | 430.3 |
| Molecular Formula: | C21 H20 Br N O4 |
| Smiles: | CCCCOc1c(cc(/C=C2/C(c3ccccc3)=NOC2=O)cc1[Br])OC |
| Stereo: | ACHIRAL |
| logP: | 5.0339 |
| logD: | 5.0339 |
| logSw: | -4.7222 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.913 |
| InChI Key: | IKRFBWPYOZMNOX-UHFFFAOYSA-N |