13-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Chemical Structure Depiction of
13-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
13-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Compound characteristics
Compound ID: | C289-0083 |
Compound Name: | 13-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one |
Molecular Weight: | 506.6 |
Molecular Formula: | C29 H34 N2 O6 |
Smiles: | CCOc1cc2CCN3C(C(C(N4CCC5(CC4)OCCO5)=O)c4ccccc4C3=O)c2cc1OCC |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 1.9191 |
logD: | 1.9191 |
logSw: | -2.712 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 61.452 |
InChI Key: | VBOFGMHEGAOHEJ-UHFFFAOYSA-N |