2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-(2,2-dimethoxyethyl)acetamide
Chemical Structure Depiction of
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-(2,2-dimethoxyethyl)acetamide
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-(2,2-dimethoxyethyl)acetamide
Compound characteristics
| Compound ID: | K788-5938 |
| Compound Name: | 2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-(2,2-dimethoxyethyl)acetamide |
| Molecular Weight: | 491.34 |
| Molecular Formula: | C22 H23 Br N2 O6 |
| Smiles: | COC(CNC(CN1C(/C(=C/c2ccc(c(c2)[Br])OC)Oc2ccccc12)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.3067 |
| logD: | 2.3067 |
| logSw: | -2.8894 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.901 |
| InChI Key: | DNXXQBNNFKQDDN-UHFFFAOYSA-N |