N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | F866-0051 |
| Compound Name: | N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C23 H28 N2 O6 S |
| Smiles: | COc1cc(/C=C/C(NCCS(N2CCc3ccccc3C2)(=O)=O)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5252 |
| logD: | 2.5252 |
| logSw: | -3.0957 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.796 |
| InChI Key: | DTZQNKOZAQRETE-UHFFFAOYSA-N |