2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(butylsulfanyl)propyl]acetamide
Chemical Structure Depiction of
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(butylsulfanyl)propyl]acetamide
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(butylsulfanyl)propyl]acetamide
Compound characteristics
| Compound ID: | K788-5926 |
| Compound Name: | 2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(butylsulfanyl)propyl]acetamide |
| Molecular Weight: | 533.48 |
| Molecular Formula: | C25 H29 Br N2 O4 S |
| Smiles: | CCCCSCCCNC(CN1C(/C(=C/c2ccc(c(c2)[Br])OC)Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6602 |
| logD: | 4.6602 |
| logSw: | -4.4722 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.248 |
| InChI Key: | NDYXWRYZRPBYQJ-UHFFFAOYSA-N |