methyl 4-({6,7-dimethoxy-2-[(4-nitrophenyl)carbamothioyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
Chemical Structure Depiction of
methyl 4-({6,7-dimethoxy-2-[(4-nitrophenyl)carbamothioyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
methyl 4-({6,7-dimethoxy-2-[(4-nitrophenyl)carbamothioyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
Compound characteristics
| Compound ID: | C111-0147 |
| Compound Name: | methyl 4-({6,7-dimethoxy-2-[(4-nitrophenyl)carbamothioyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate |
| Molecular Weight: | 537.59 |
| Molecular Formula: | C27 H27 N3 O7 S |
| Smiles: | COC(c1ccc(cc1)OCC1c2cc(c(cc2CCN1C(Nc1ccc(cc1)[N+]([O-])=O)=S)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0115 |
| logD: | 5.0115 |
| logSw: | -4.6421 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.379 |
| InChI Key: | GAABUYSZKWUGRW-QHCPKHFHSA-N |