2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | K788-6084 |
| Compound Name: | 2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide |
| Molecular Weight: | 514.42 |
| Molecular Formula: | C25 H28 Br N3 O4 |
| Smiles: | CCN1CCCC1CNC(CN1C(/C(=C\c2ccc(c(c2)[Br])OC)Oc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2533 |
| logD: | 2.27 |
| logSw: | -3.6622 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.041 |
| InChI Key: | PGTQAPKTHDTIAA-GOSISDBHSA-N |