1-tert-butyl-4-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-4,4a,5,7-tetrahydroimidazo[4,5-b]pyrazolo[4,3-e]pyridin-6(1H)-one
Chemical Structure Depiction of
1-tert-butyl-4-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-4,4a,5,7-tetrahydroimidazo[4,5-b]pyrazolo[4,3-e]pyridin-6(1H)-one
1-tert-butyl-4-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-4,4a,5,7-tetrahydroimidazo[4,5-b]pyrazolo[4,3-e]pyridin-6(1H)-one
Compound characteristics
Compound ID: | 8020-5319 |
Compound Name: | 1-tert-butyl-4-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-4,4a,5,7-tetrahydroimidazo[4,5-b]pyrazolo[4,3-e]pyridin-6(1H)-one |
Molecular Weight: | 519.56 |
Molecular Formula: | C27 H29 N5 O6 |
Smiles: | CC(C)(C)n1c2c(cn1)C(C1C(NC(N1c1cccc(c1)OC)=O)=N2)c1cc2c(c(c1OC)OC)OCO2 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.2227 |
logD: | 4.2223 |
logSw: | -4.3163 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 90.567 |
InChI Key: | LCSNCAKDLRKZCL-UHFFFAOYSA-N |