2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-butylacetamide
Chemical Structure Depiction of
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-butylacetamide
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-butylacetamide
Compound characteristics
| Compound ID: | C311-1593 |
| Compound Name: | 2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-butylacetamide |
| Molecular Weight: | 459.34 |
| Molecular Formula: | C22 H23 Br N2 O4 |
| Smiles: | CCCCNC(CN1C(/C(=C\c2ccc(c(c2)[Br])OC)Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0068 |
| logD: | 4.0068 |
| logSw: | -4.1996 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.248 |
| InChI Key: | ZDHTXZMPHKCLNO-UHFFFAOYSA-N |