N-[(3-chlorophenyl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
N-[(3-chlorophenyl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E715-0493 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide |
| Molecular Weight: | 438.96 |
| Molecular Formula: | C23 H27 Cl N6 O |
| Smiles: | C1CCc2nc3c(ncnc3n2CC1)N1CCC(CC1)C(NCc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6361 |
| logD: | 3.6303 |
| logSw: | -3.801 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.009 |
| InChI Key: | PYISVAFVZVRPAO-UHFFFAOYSA-N |