N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E715-0088 |
| Compound Name: | N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide |
| Molecular Weight: | 534.68 |
| Molecular Formula: | C29 H39 F N8 O |
| Smiles: | C1CCc2nc3c(ncnc3n2CC1)N1CCCC(C1)C(NCCCN1CCN(CC1)c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1004 |
| logD: | 2.5143 |
| logSw: | -3.0725 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.027 |
| InChI Key: | XHJDLZKBWRACRS-QFIPXVFZSA-N |