2-[(3-bromo-4-methoxyphenyl)methylidene]-4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-[(3-bromo-4-methoxyphenyl)methylidene]-4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
2-[(3-bromo-4-methoxyphenyl)methylidene]-4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-5929 |
| Compound Name: | 2-[(3-bromo-4-methoxyphenyl)methylidene]-4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 578.46 |
| Molecular Formula: | C29 H28 Br N3 O5 |
| Smiles: | COc1ccccc1N1CCN(CC1)C(CN1C(/C(=C/c2ccc(c(c2)[Br])OC)Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3398 |
| logD: | 4.3394 |
| logSw: | -4.397 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.646 |
| InChI Key: | JUGMTKYGBINIFV-UHFFFAOYSA-N |