3-{2-[4-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3,6,7,8,9,10-hexahydro-4H-azepino[1,2-e]purin-4-one
3-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3,6,7,8,9,10-hexahydro-4H-azepino[1,2-e]purin-4-one
Compound characteristics
| Compound ID: | E714-0322 |
| Compound Name: | 3-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3,6,7,8,9,10-hexahydro-4H-azepino[1,2-e]purin-4-one |
| Molecular Weight: | 454.96 |
| Molecular Formula: | C23 H27 Cl N6 O2 |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(CN1C=Nc2c(C1=O)nc1CCCCCn12)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.8512 |
| logD: | 2.8504 |
| logSw: | -3.3307 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.48 |
| InChI Key: | WAKKEZQJDMIDRC-UHFFFAOYSA-N |