N-(4-chloro-2-methylphenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-(4-chloro-2-methylphenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
N-(4-chloro-2-methylphenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E715-0231 |
| Compound Name: | N-(4-chloro-2-methylphenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide |
| Molecular Weight: | 438.96 |
| Molecular Formula: | C23 H27 Cl N6 O |
| Smiles: | Cc1cc(ccc1NC(C1CCCN(C1)c1c2c(ncn1)n1CCCCCc1n2)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2542 |
| logD: | 4.2468 |
| logSw: | -4.4407 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.922 |
| InChI Key: | BEWLJYDNDOZWLB-INIZCTEOSA-N |