ethyl 4-{[2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
Chemical Structure Depiction of
ethyl 4-{[2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
ethyl 4-{[2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
Compound characteristics
| Compound ID: | K407-0606 |
| Compound Name: | ethyl 4-{[2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate |
| Molecular Weight: | 554.98 |
| Molecular Formula: | C28 H27 Cl N2 O8 |
| Smiles: | CCOC(c1ccc(cc1)OCC1c2cc(c(cc2CCN1C(c1cc(ccc1[N+]([O-])=O)[Cl])=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1805 |
| logD: | 5.1805 |
| logSw: | -5.5294 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.408 |
| InChI Key: | JIIJAZLAJGXMHQ-DEOSSOPVSA-N |