N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-3-phenylprop-2-enamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-3-phenylprop-2-enamide
N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-3-phenylprop-2-enamide
Compound characteristics
| Compound ID: | F866-0050 |
| Compound Name: | N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-3-phenylprop-2-enamide |
| Molecular Weight: | 370.47 |
| Molecular Formula: | C20 H22 N2 O3 S |
| Smiles: | C1CN(Cc2ccccc12)S(CCNC(/C=C/c1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9852 |
| logD: | 2.9852 |
| logSw: | -3.3649 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.819 |
| InChI Key: | XXQICWBBHGYZNJ-UHFFFAOYSA-N |