3-[2-(4-benzylpiperazin-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-benzylpiperazin-1-yl)-2-oxoethyl]-3,6,7,8,9,10-hexahydro-4H-azepino[1,2-e]purin-4-one
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3,6,7,8,9,10-hexahydro-4H-azepino[1,2-e]purin-4-one
Compound characteristics
| Compound ID: | E714-0271 |
| Compound Name: | 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3,6,7,8,9,10-hexahydro-4H-azepino[1,2-e]purin-4-one |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C23 H28 N6 O2 |
| Smiles: | C1CCc2nc3C(N(CC(N4CCN(CC4)Cc4ccccc4)=O)C=Nc3n2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2496 |
| logD: | 1.2342 |
| logSw: | -1.7003 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.061 |
| InChI Key: | BBFPKYQBLZFQLQ-UHFFFAOYSA-N |