ethyl 4-{[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate
ethyl 4-{[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | V007-8343 |
| Compound Name: | ethyl 4-{[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate |
| Molecular Weight: | 512.97 |
| Molecular Formula: | C27 H26 Cl F N2 O5 |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCc2cc(c(cc2C1c1c(cccc1[Cl])F)OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3622 |
| logD: | 5.3622 |
| logSw: | -6.0359 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.697 |
| InChI Key: | KJRBQUARIHTHOQ-VWLOTQADSA-N |