methyl 2-{[6,7-diethoxy-1-(2-methoxy-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[6,7-diethoxy-1-(2-methoxy-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate
methyl 2-{[6,7-diethoxy-1-(2-methoxy-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G525-0013 |
| Compound Name: | methyl 2-{[6,7-diethoxy-1-(2-methoxy-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate |
| Molecular Weight: | 470.52 |
| Molecular Formula: | C25 H30 N2 O7 |
| Smiles: | CCOc1cc2CCN(C(CC(=O)OC)c2cc1OCC)C(Nc1ccccc1C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9473 |
| logD: | 2.9467 |
| logSw: | -3.4561 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.381 |
| InChI Key: | RWSZAOLZGUCCEI-FQEVSTJZSA-N |