2-benzylidene-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-benzylidene-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
2-benzylidene-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-6308 |
| Compound Name: | 2-benzylidene-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 441.49 |
| Molecular Formula: | C25 H23 N5 O3 |
| Smiles: | C1CN(CCN1C(CN1C(/C(=C\c2ccccc2)Oc2ccccc12)=O)=O)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 3.1531 |
| logD: | 3.153 |
| logSw: | -3.4505 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.048 |
| InChI Key: | LCUMQDIASKYGMJ-UHFFFAOYSA-N |