2-{4-[2-(azepan-1-yl)-2-oxoethyl]oxan-4-yl}-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of
2-{4-[2-(azepan-1-yl)-2-oxoethyl]oxan-4-yl}-2,3-dihydro-1H-isoindol-1-one
2-{4-[2-(azepan-1-yl)-2-oxoethyl]oxan-4-yl}-2,3-dihydro-1H-isoindol-1-one
Compound characteristics
| Compound ID: | D750-0539 |
| Compound Name: | 2-{4-[2-(azepan-1-yl)-2-oxoethyl]oxan-4-yl}-2,3-dihydro-1H-isoindol-1-one |
| Molecular Weight: | 356.46 |
| Molecular Formula: | C21 H28 N2 O3 |
| Smiles: | C1CCCN(CC1)C(CC1(CCOCC1)N1Cc2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6402 |
| logD: | 2.6402 |
| logSw: | -3.0218 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.58 |
| InChI Key: | QLQQBWHHGFMLLC-UHFFFAOYSA-N |