2-[(3-chlorophenyl)methylidene]-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-[(3-chlorophenyl)methylidene]-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
2-[(3-chlorophenyl)methylidene]-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-5307 |
| Compound Name: | 2-[(3-chlorophenyl)methylidene]-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 475.93 |
| Molecular Formula: | C25 H22 Cl N5 O3 |
| Smiles: | C1CN(CCN1C(CN1C(/C(=C\c2cccc(c2)[Cl])Oc2ccccc12)=O)=O)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 3.6877 |
| logD: | 3.6877 |
| logSw: | -4.2064 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.048 |
| InChI Key: | NSHSZMUWWBGVEQ-UHFFFAOYSA-N |