7-{[2-(cyclohexanecarbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-{[2-(cyclohexanecarbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
7-{[2-(cyclohexanecarbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C199-0124 |
| Compound Name: | 7-{[2-(cyclohexanecarbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 491.58 |
| Molecular Formula: | C29 H33 N O6 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OCC1c2cc(c(cc2CCN1C(C1CCCCC1)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4373 |
| logD: | 4.4373 |
| logSw: | -4.4279 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.173 |
| InChI Key: | HYXGIGVZSVPNGR-DEOSSOPVSA-N |