methyl 4-({6,7-dimethoxy-2-[(2-methoxyphenyl)carbamothioyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
Chemical Structure Depiction of
methyl 4-({6,7-dimethoxy-2-[(2-methoxyphenyl)carbamothioyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
methyl 4-({6,7-dimethoxy-2-[(2-methoxyphenyl)carbamothioyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
Compound characteristics
| Compound ID: | C111-0130 |
| Compound Name: | methyl 4-({6,7-dimethoxy-2-[(2-methoxyphenyl)carbamothioyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate |
| Molecular Weight: | 522.62 |
| Molecular Formula: | C28 H30 N2 O6 S |
| Smiles: | COC(c1ccc(cc1)OCC1c2cc(c(cc2CCN1C(Nc1ccccc1OC)=S)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1826 |
| logD: | 5.1826 |
| logSw: | -5.0912 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.93 |
| InChI Key: | IJEAFGAIYHWTSG-QHCPKHFHSA-N |