2-(4-{2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl}oxan-4-yl)-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of
2-(4-{2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl}oxan-4-yl)-2,3-dihydro-1H-isoindol-1-one
2-(4-{2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl}oxan-4-yl)-2,3-dihydro-1H-isoindol-1-one
Compound characteristics
| Compound ID: | D750-0367 |
| Compound Name: | 2-(4-{2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl}oxan-4-yl)-2,3-dihydro-1H-isoindol-1-one |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C27 H30 N4 O3 |
| Smiles: | C1CN(CCC1c1nc2ccccc2[nH]1)C(CC1(CCOCC1)N1Cc2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9467 |
| logD: | 2.9396 |
| logSw: | -3.3779 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.269 |
| InChI Key: | SDTVJDUWNMEXPD-UHFFFAOYSA-N |