N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-3,4-diethoxybenzamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-3,4-diethoxybenzamide
N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-3,4-diethoxybenzamide
Compound characteristics
| Compound ID: | F866-0033 |
| Compound Name: | N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-3,4-diethoxybenzamide |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C22 H28 N2 O5 S |
| Smiles: | CCOc1ccc(cc1OCC)C(NCCS(N1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1474 |
| logD: | 2.1474 |
| logSw: | -2.948 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.452 |
| InChI Key: | KPLXPRZWDARONI-UHFFFAOYSA-N |