2-{4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]oxan-4-yl}-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of
2-{4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]oxan-4-yl}-2,3-dihydro-1H-isoindol-1-one
2-{4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]oxan-4-yl}-2,3-dihydro-1H-isoindol-1-one
Compound characteristics
| Compound ID: | D750-0479 |
| Compound Name: | 2-{4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]oxan-4-yl}-2,3-dihydro-1H-isoindol-1-one |
| Molecular Weight: | 357.45 |
| Molecular Formula: | C20 H27 N3 O3 |
| Smiles: | CN1CCN(CC1)C(CC1(CCOCC1)N1Cc2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9624 |
| logD: | 0.7155 |
| logSw: | -2.2007 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.726 |
| InChI Key: | YCPXPYDHIXEUGA-UHFFFAOYSA-N |