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 |