6-amino-8-[4-(benzyloxy)-3-ethoxyphenyl]-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-7-carbonitrile
Chemical Structure Depiction of
6-amino-8-[4-(benzyloxy)-3-ethoxyphenyl]-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-7-carbonitrile
6-amino-8-[4-(benzyloxy)-3-ethoxyphenyl]-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-7-carbonitrile
Compound characteristics
| Compound ID: | 5948-4208 |
| Compound Name: | 6-amino-8-[4-(benzyloxy)-3-ethoxyphenyl]-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-7-carbonitrile |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C26 H22 N2 O5 |
| Smiles: | CCOc1cc(ccc1OCc1ccccc1)C1C(C#N)=C(N)Oc2cc3c(cc12)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9058 |
| logD: | 3.9058 |
| logSw: | -4.2957 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.934 |
| InChI Key: | MNLHCBRDGGHFHT-RUZDIDTESA-N |