3-[4-(1,3-dihydro-2H-isoindol-2-yl)phenyl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile
Chemical Structure Depiction of
3-[4-(1,3-dihydro-2H-isoindol-2-yl)phenyl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile
3-[4-(1,3-dihydro-2H-isoindol-2-yl)phenyl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 4169-1034 |
| Compound Name: | 3-[4-(1,3-dihydro-2H-isoindol-2-yl)phenyl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile |
| Molecular Weight: | 434.54 |
| Molecular Formula: | C28 H26 N4 O |
| Smiles: | C1CN(CCN1C(C(=C\c1ccc(cc1)N1Cc2ccccc2C1)\C#N)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9522 |
| logD: | 4.9522 |
| logSw: | -4.8633 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 40.617 |
| InChI Key: | BFSXJMDVRVWPRX-UHFFFAOYSA-N |