N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-3-methylbenzamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-3-methylbenzamide
N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-3-methylbenzamide
Compound characteristics
| Compound ID: | F866-0023 |
| Compound Name: | N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-3-methylbenzamide |
| Molecular Weight: | 358.46 |
| Molecular Formula: | C19 H22 N2 O3 S |
| Smiles: | Cc1cccc(c1)C(NCCS(N1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.403 |
| logD: | 2.403 |
| logSw: | -2.9127 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.032 |
| InChI Key: | LUPJAFQTTKWNHE-UHFFFAOYSA-N |