{2-[(2-chloro-4-methylphenyl)carbamoyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetic acid
Chemical Structure Depiction of
{2-[(2-chloro-4-methylphenyl)carbamoyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetic acid
{2-[(2-chloro-4-methylphenyl)carbamoyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetic acid
Compound characteristics
| Compound ID: | G526-0017 |
| Compound Name: | {2-[(2-chloro-4-methylphenyl)carbamoyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetic acid |
| Molecular Weight: | 446.93 |
| Molecular Formula: | C23 H27 Cl N2 O5 |
| Smiles: | CCOc1cc2CCN(C(CC(O)=O)c2cc1OCC)C(Nc1ccc(C)cc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2059 |
| logD: | 0.5681 |
| logSw: | -3.2507 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.012 |
| InChI Key: | IYCBWPYAUNBQKU-IBGZPJMESA-N |