2-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
2-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-4821 |
| Compound Name: | 2-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C25 H22 N4 O3 |
| Smiles: | C1CN(CCN1C(c1ccc(/C=C2/C(Nc3ccccc3O2)=O)cc1)=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 3.6058 |
| logD: | 3.5969 |
| logSw: | -3.6898 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.228 |
| InChI Key: | GMBWUHQBYLMDJV-UHFFFAOYSA-N |