4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5(4H)-one
4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 5168-3665 |
| Compound Name: | 4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5(4H)-one |
| Molecular Weight: | 312.12 |
| Molecular Formula: | C12 H10 Br N O4 |
| Smiles: | CC1/C(=C/c2cc(c(c(c2)[Br])O)OC)C(=O)ON=1 |
| Stereo: | ACHIRAL |
| logP: | 1.9724 |
| logD: | 1.8947 |
| logSw: | -1.8313 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.246 |
| InChI Key: | YJSWZTVNYOURFQ-UHFFFAOYSA-N |