2-({4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-({4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
2-({4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-4807 |
| Compound Name: | 2-({4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C28 H27 N3 O3 |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(c1ccc(/C=C2/C(Nc3ccccc3O2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0618 |
| logD: | 5.0618 |
| logSw: | -4.5939 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.415 |
| InChI Key: | BOAXBBRIDLQXAC-UHFFFAOYSA-N |