7-{[6,7-dimethoxy-2-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-{[6,7-dimethoxy-2-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
7-{[6,7-dimethoxy-2-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C199-0029 |
| Compound Name: | 7-{[6,7-dimethoxy-2-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 543.66 |
| Molecular Formula: | C33 H37 N O6 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OCC1c2cc(c(cc2CCN1C(C12CC3CC(CC(C3)C2)C1)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7246 |
| logD: | 5.7246 |
| logSw: | -5.5527 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.014 |
| InChI Key: | HUFIVHHSGSXTNV-BEFWZLPASA-N |