N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-fluorobenzoyl)hydrazinylidene]-8-methoxy-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-fluorobenzoyl)hydrazinylidene]-8-methoxy-2H-1-benzopyran-3-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-fluorobenzoyl)hydrazinylidene]-8-methoxy-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K024-0055 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-fluorobenzoyl)hydrazinylidene]-8-methoxy-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 519.53 |
| Molecular Formula: | C28 H26 F N3 O6 |
| Smiles: | COc1ccc(CCNC(C2=Cc3cccc(c3OC/2=N/NC(c2cccc(c2)F)=O)OC)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.1224 |
| logD: | 3.0099 |
| logSw: | -3.5896 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.922 |
| InChI Key: | JWSFFADRJRDYCY-UHFFFAOYSA-N |