N-{3-[benzyl(butyl)amino]propyl}-2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Chemical Structure Depiction of
N-{3-[benzyl(butyl)amino]propyl}-2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
N-{3-[benzyl(butyl)amino]propyl}-2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Compound characteristics
| Compound ID: | K788-0544 |
| Compound Name: | N-{3-[benzyl(butyl)amino]propyl}-2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide |
| Molecular Weight: | 576.53 |
| Molecular Formula: | C31 H34 Br N3 O3 |
| Smiles: | CCCCN(CCCNC(CN1C(/C(=C\c2cccc(c2)[Br])Oc2ccccc12)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9347 |
| logD: | 4.3155 |
| logSw: | -5.3759 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.286 |
| InChI Key: | NIVOZKCSVMEDIV-UHFFFAOYSA-N |