2-[4-(2-oxo-2-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethyl)oxan-4-yl]-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of
2-[4-(2-oxo-2-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethyl)oxan-4-yl]-2,3-dihydro-1H-isoindol-1-one
2-[4-(2-oxo-2-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethyl)oxan-4-yl]-2,3-dihydro-1H-isoindol-1-one
Compound characteristics
| Compound ID: | D750-0366 |
| Compound Name: | 2-[4-(2-oxo-2-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethyl)oxan-4-yl]-2,3-dihydro-1H-isoindol-1-one |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C26 H32 N4 O3 |
| Smiles: | C(CN1CCN(CC1)C(CC1(CCOCC1)N1Cc2ccccc2C1=O)=O)c1ccncc1 |
| Stereo: | ACHIRAL |
| logP: | 1.3605 |
| logD: | 1.2964 |
| logSw: | -1.8586 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.196 |
| InChI Key: | NKRTZDGFYUNGOJ-UHFFFAOYSA-N |