methyl 4-{[2-(tert-butylcarbamothioyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(tert-butylcarbamothioyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
methyl 4-{[2-(tert-butylcarbamothioyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
Compound characteristics
| Compound ID: | C111-0115 |
| Compound Name: | methyl 4-{[2-(tert-butylcarbamothioyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate |
| Molecular Weight: | 472.6 |
| Molecular Formula: | C25 H32 N2 O5 S |
| Smiles: | CC(C)(C)NC(N1CCc2cc(c(cc2C1COc1ccc(cc1)C(=O)OC)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.652 |
| logD: | 4.652 |
| logSw: | -4.3654 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.415 |
| InChI Key: | ZIJAWHYMFLLWOZ-FQEVSTJZSA-N |