methyl 2-{[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate
methyl 2-{[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | V011-0331 |
| Compound Name: | methyl 2-{[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate |
| Molecular Weight: | 498.94 |
| Molecular Formula: | C26 H24 Cl F N2 O5 |
| Smiles: | COC(c1ccccc1NC(N1CCc2cc(c(cc2C1c1c(cccc1[Cl])F)OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8814 |
| logD: | 4.8813 |
| logSw: | -4.9539 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.419 |
| InChI Key: | KJEYQIOWKIASRK-DEOSSOPVSA-N |