N-(2-chlorophenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
N-(2-chlorophenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E715-0500 |
| Compound Name: | N-(2-chlorophenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide |
| Molecular Weight: | 424.93 |
| Molecular Formula: | C22 H25 Cl N6 O |
| Smiles: | C1CCc2nc3c(ncnc3n2CC1)N1CCC(CC1)C(Nc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5992 |
| logD: | 3.5927 |
| logSw: | -3.5702 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.989 |
| InChI Key: | TXNXXVGPDYRIFJ-UHFFFAOYSA-N |