3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3,6,7,8,9,10-hexahydro-4H-azepino[1,2-e]purin-4-one
Chemical Structure Depiction of
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3,6,7,8,9,10-hexahydro-4H-azepino[1,2-e]purin-4-one
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3,6,7,8,9,10-hexahydro-4H-azepino[1,2-e]purin-4-one
Compound characteristics
| Compound ID: | E714-0267F |
| Compound Name: | 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3,6,7,8,9,10-hexahydro-4H-azepino[1,2-e]purin-4-one |
| Molecular Weight: | 419.53 |
| Molecular Formula: | C24 H29 N5 O2 |
| Smiles: | C1CCc2nc3C(N(CC(N4CCC(CC4)Cc4ccccc4)=O)C=Nc3n2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9041 |
| logD: | 2.9034 |
| logSw: | -3.1179 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.249 |
| InChI Key: | MPCCLNKWWVFWES-UHFFFAOYSA-N |