4-[(2-bromo-4-methylanilino)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2-bromo-4-methylanilino)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one
4-[(2-bromo-4-methylanilino)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0474 |
| Compound Name: | 4-[(2-bromo-4-methylanilino)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 387.23 |
| Molecular Formula: | C18 H15 Br N2 O3 |
| Smiles: | Cc1ccc(c(c1)[Br])N/C=C1/C(=O)OC(c2cccc(c2)OC)=N1 |
| Stereo: | ACHIRAL |
| logP: | 4.0696 |
| logD: | 4.0693 |
| logSw: | -4.2446 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.822 |
| InChI Key: | CBILQEBCQNAOQD-UHFFFAOYSA-N |