2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-(3-methylbutyl)acetamide
Chemical Structure Depiction of
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-(3-methylbutyl)acetamide
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-(3-methylbutyl)acetamide
Compound characteristics
| Compound ID: | K788-0540 |
| Compound Name: | 2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-(3-methylbutyl)acetamide |
| Molecular Weight: | 443.34 |
| Molecular Formula: | C22 H23 Br N2 O3 |
| Smiles: | CC(C)CCNC(CN1C(/C(=C\c2cccc(c2)[Br])Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6481 |
| logD: | 4.6481 |
| logSw: | -4.3397 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.617 |
| InChI Key: | YODABYOUNNBSDL-UHFFFAOYSA-N |