2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-(2-methoxyethyl)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-methoxyethyl)acetamide
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-(2-methoxyethyl)acetamide
Compound characteristics
| Compound ID: | C311-1590 |
| Compound Name: | 2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-(2-methoxyethyl)acetamide |
| Molecular Weight: | 461.31 |
| Molecular Formula: | C21 H21 Br N2 O5 |
| Smiles: | COCCNC(CN1C(/C(=C\c2ccc(c(c2)[Br])OC)Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6872 |
| logD: | 2.6872 |
| logSw: | -3.1875 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.59 |
| InChI Key: | YXBKANPIOMDNAJ-UHFFFAOYSA-N |