6,7-dimethoxy-N-(2-methoxyethyl)-1-{[(2-oxo-2H-1-benzopyran-4-yl)oxy]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
6,7-dimethoxy-N-(2-methoxyethyl)-1-{[(2-oxo-2H-1-benzopyran-4-yl)oxy]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide
6,7-dimethoxy-N-(2-methoxyethyl)-1-{[(2-oxo-2H-1-benzopyran-4-yl)oxy]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C199-0137 |
| Compound Name: | 6,7-dimethoxy-N-(2-methoxyethyl)-1-{[(2-oxo-2H-1-benzopyran-4-yl)oxy]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 484.57 |
| Molecular Formula: | C25 H28 N2 O6 S |
| Smiles: | COCCNC(N1CCc2cc(c(cc2C1COC1=CC(=O)Oc2ccccc12)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7533 |
| logD: | 2.7533 |
| logSw: | -3.5833 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.699 |
| InChI Key: | IPNUEIMFYBIOGL-IBGZPJMESA-N |