N-(2H-1,3-benzodioxol-5-yl)-1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carboxamide
Compound characteristics
| Compound ID: | V012-0216 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carboxamide |
| Molecular Weight: | 484.91 |
| Molecular Formula: | C25 H22 Cl F N2 O5 |
| Smiles: | COc1cc2CCN(C(c2cc1OC)c1c(cccc1[Cl])F)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5939 |
| logD: | 4.5939 |
| logSw: | -4.7256 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.058 |
| InChI Key: | UDQWJQACMHUTBH-DEOSSOPVSA-N |