2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-4819 |
| Compound Name: | 2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C24 H21 N5 O3 |
| Smiles: | C1CN(CCN1C(c1ccc(/C=C2/C(Nc3ccccc3O2)=O)cc1)=O)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 3.1028 |
| logD: | 3.1028 |
| logSw: | -3.4588 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.079 |
| InChI Key: | UVLRFGGVLQRDJS-UHFFFAOYSA-N |