2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(1H-indol-3-yl)prop-2-enenitrile
Chemical Structure Depiction of
2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(1H-indol-3-yl)prop-2-enenitrile
2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(1H-indol-3-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | Y505-4375 |
| Compound Name: | 2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(1H-indol-3-yl)prop-2-enenitrile |
| Molecular Weight: | 327.38 |
| Molecular Formula: | C21 H17 N3 O |
| Smiles: | C1CN(Cc2ccccc12)C(C(=C/c1c[nH]c2ccccc12)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6793 |
| logD: | 3.6793 |
| logSw: | -4.1346 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.476 |
| InChI Key: | HJZXKNAUJPBYOD-UHFFFAOYSA-N |