ethyl 4-({2-[(3-chloro-2-methylphenyl)carbamothioyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
Chemical Structure Depiction of
ethyl 4-({2-[(3-chloro-2-methylphenyl)carbamothioyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
ethyl 4-({2-[(3-chloro-2-methylphenyl)carbamothioyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
Compound characteristics
| Compound ID: | C111-0178 |
| Compound Name: | ethyl 4-({2-[(3-chloro-2-methylphenyl)carbamothioyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate |
| Molecular Weight: | 555.09 |
| Molecular Formula: | C29 H31 Cl N2 O5 S |
| Smiles: | CCOC(c1ccc(cc1)OCC1c2cc(c(cc2CCN1C(Nc1cccc(c1C)[Cl])=S)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7475 |
| logD: | 6.7475 |
| logSw: | -6.4094 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.879 |
| InChI Key: | MPPMPBIMFQKRTM-VWLOTQADSA-N |