methyl {2-[(3-chloro-4-fluorophenyl)carbamoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
Chemical Structure Depiction of
methyl {2-[(3-chloro-4-fluorophenyl)carbamoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
methyl {2-[(3-chloro-4-fluorophenyl)carbamoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
Compound characteristics
| Compound ID: | G525-0187 |
| Compound Name: | methyl {2-[(3-chloro-4-fluorophenyl)carbamoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate |
| Molecular Weight: | 376.81 |
| Molecular Formula: | C19 H18 Cl F N2 O3 |
| Smiles: | COC(CC1c2ccccc2CCN1C(Nc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1628 |
| logD: | 4.1624 |
| logSw: | -4.4662 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.485 |
| InChI Key: | CXJTZSROQCAXBN-KRWDZBQOSA-N |