2-{[2-(prop-2-enoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{[2-(prop-2-enoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
2-{[2-(prop-2-enoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | T001-1176 |
| Compound Name: | 2-{[2-(prop-2-enoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 346.38 |
| Molecular Formula: | C21 H18 N2 O3 |
| Smiles: | C=CC(N1CCc2ccccc2C1CN1C(c2ccccc2C1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.029 |
| logD: | 3.029 |
| logSw: | -3.3534 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.082 |
| InChI Key: | GOMKUISTENTLFT-SFHVURJKSA-N |