6-amino-8-{3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-7-carbonitrile
Chemical Structure Depiction of
6-amino-8-{3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-7-carbonitrile
6-amino-8-{3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-7-carbonitrile
Compound characteristics
| Compound ID: | 5948-4239 |
| Compound Name: | 6-amino-8-{3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-7-carbonitrile |
| Molecular Weight: | 390.39 |
| Molecular Formula: | C22 H18 N2 O5 |
| Smiles: | CCOc1cc(ccc1OCC#C)C1C(C#N)=C(N)Oc2cc3c(cc12)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5708 |
| logD: | 2.5708 |
| logSw: | -3.0175 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.124 |
| InChI Key: | PPUPIQSQCKVNRM-OAQYLSRUSA-N |