ethyl {2-[(3-chloro-4-fluorophenyl)carbamoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
Chemical Structure Depiction of
ethyl {2-[(3-chloro-4-fluorophenyl)carbamoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
ethyl {2-[(3-chloro-4-fluorophenyl)carbamoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
Compound characteristics
| Compound ID: | E540-1111 |
| Compound Name: | ethyl {2-[(3-chloro-4-fluorophenyl)carbamoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate |
| Molecular Weight: | 390.84 |
| Molecular Formula: | C20 H20 Cl F N2 O3 |
| Smiles: | CCOC(CC1c2ccccc2CCN1C(Nc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6698 |
| logD: | 4.6695 |
| logSw: | -4.8204 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.065 |
| InChI Key: | ZHXDUHRFLRZCFS-SFHVURJKSA-N |