3-{2-[4-(4-chlorophenyl)piperazin-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-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-3,6,7,8,9,10-hexahydro-4H-azepino[1,2-e]purin-4-one
3-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-3,6,7,8,9,10-hexahydro-4H-azepino[1,2-e]purin-4-one
Compound characteristics
| Compound ID: | E714-0330 |
| Compound Name: | 3-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-3,6,7,8,9,10-hexahydro-4H-azepino[1,2-e]purin-4-one |
| Molecular Weight: | 440.93 |
| Molecular Formula: | C22 H25 Cl N6 O2 |
| Smiles: | C1CCc2nc3C(N(CC(N4CCN(CC4)c4ccc(cc4)[Cl])=O)C=Nc3n2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2848 |
| logD: | 2.2841 |
| logSw: | -2.9064 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.781 |
| InChI Key: | AYNVCOJLBXESMT-UHFFFAOYSA-N |