methyl 4-({2-[(3-fluorophenyl)carbamothioyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
Chemical Structure Depiction of
methyl 4-({2-[(3-fluorophenyl)carbamothioyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
methyl 4-({2-[(3-fluorophenyl)carbamothioyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
Compound characteristics
| Compound ID: | C111-0135 |
| Compound Name: | methyl 4-({2-[(3-fluorophenyl)carbamothioyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate |
| Molecular Weight: | 510.58 |
| Molecular Formula: | C27 H27 F N2 O5 S |
| Smiles: | COC(c1ccc(cc1)OCC1c2cc(c(cc2CCN1C(Nc1cccc(c1)F)=S)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2393 |
| logD: | 5.2393 |
| logSw: | -5.1439 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.997 |
| InChI Key: | XGIFTCKNTYTNIR-QHCPKHFHSA-N |