2-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methylidene]-4-[(4-chlorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methylidene]-4-[(4-chlorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
2-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methylidene]-4-[(4-chlorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-6808 |
| Compound Name: | 2-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methylidene]-4-[(4-chlorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 608.09 |
| Molecular Formula: | C35 H30 Cl N3 O5 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1ccc(/C=C2/C(N(Cc3ccc(cc3)[Cl])c3ccccc3O2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7089 |
| logD: | 5.5173 |
| logSw: | -6.1796 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.337 |
| InChI Key: | ADOCHISDFWBVKA-UHFFFAOYSA-N |