6-amino-8-{3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl}-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-7-carbonitrile
Chemical Structure Depiction of
6-amino-8-{3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl}-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-7-carbonitrile
6-amino-8-{3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl}-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-7-carbonitrile
Compound characteristics
| Compound ID: | 5948-4237 |
| Compound Name: | 6-amino-8-{3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl}-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-7-carbonitrile |
| Molecular Weight: | 456.5 |
| Molecular Formula: | C27 H24 N2 O5 |
| Smiles: | CCOc1cc(ccc1OCc1ccc(C)cc1)C1C(C#N)=C(N)Oc2cc3c(cc12)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3291 |
| logD: | 4.3291 |
| logSw: | -4.7174 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.934 |
| InChI Key: | CIZWTEHCHOHATJ-AREMUKBSSA-N |