N-{2-[benzyl(methyl)amino]ethyl}-2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Chemical Structure Depiction of
N-{2-[benzyl(methyl)amino]ethyl}-2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
N-{2-[benzyl(methyl)amino]ethyl}-2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Compound characteristics
| Compound ID: | K788-0543 |
| Compound Name: | N-{2-[benzyl(methyl)amino]ethyl}-2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide |
| Molecular Weight: | 520.43 |
| Molecular Formula: | C27 H26 Br N3 O3 |
| Smiles: | CN(CCNC(CN1C(/C(=C\c2cccc(c2)[Br])Oc2ccccc12)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3262 |
| logD: | 3.8318 |
| logSw: | -4.2993 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.44 |
| InChI Key: | VKYFDMUEGJVWRR-UHFFFAOYSA-N |