2-[(2-bromophenyl)methylidene]-4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-[(2-bromophenyl)methylidene]-4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
2-[(2-bromophenyl)methylidene]-4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-6262 |
| Compound Name: | 2-[(2-bromophenyl)methylidene]-4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 548.44 |
| Molecular Formula: | C28 H26 Br N3 O4 |
| Smiles: | COc1ccccc1N1CCN(CC1)C(CN1C(/C(=C\c2ccccc2[Br])Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5464 |
| logD: | 4.546 |
| logSw: | -4.4047 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.015 |
| InChI Key: | QULLXFKGUMQZRC-UHFFFAOYSA-N |