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 |