N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-3,4-dimethylbenzamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-3,4-dimethylbenzamide
N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-3,4-dimethylbenzamide
Compound characteristics
| Compound ID: | F866-0026 |
| Compound Name: | N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-3,4-dimethylbenzamide |
| Molecular Weight: | 372.48 |
| Molecular Formula: | C20 H24 N2 O3 S |
| Smiles: | Cc1ccc(cc1C)C(NCCS(N1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0179 |
| logD: | 3.0179 |
| logSw: | -3.4617 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.032 |
| InChI Key: | JGZTUPUBRKQTAQ-UHFFFAOYSA-N |