N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E715-0217 |
| Compound Name: | N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide |
| Molecular Weight: | 519.67 |
| Molecular Formula: | C29 H38 F N7 O |
| Smiles: | C1CCc2nc3c(ncnc3n2CC1)N1CCCC(C1)C(NCC1CCN(CC1)Cc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7608 |
| logD: | 1.9714 |
| logSw: | -3.9151 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.675 |
| InChI Key: | DEXMERXBSHOVDT-QHCPKHFHSA-N |