{2-[(4-bromo-2-fluorophenyl)carbamoyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetic acid
Chemical Structure Depiction of
{2-[(4-bromo-2-fluorophenyl)carbamoyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetic acid
{2-[(4-bromo-2-fluorophenyl)carbamoyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetic acid
Compound characteristics
Compound ID: | G526-0115 |
Compound Name: | {2-[(4-bromo-2-fluorophenyl)carbamoyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetic acid |
Molecular Weight: | 467.29 |
Molecular Formula: | C20 H20 Br F N2 O5 |
Smiles: | COc1cc2CCN(C(CC(O)=O)c2cc1OC)C(Nc1ccc(cc1F)[Br])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.8713 |
logD: | 0.2335 |
logSw: | -3.4492 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 67.853 |
InChI Key: | CNJVBCOLGCJDHO-INIZCTEOSA-N |