N-(3-chloro-4-methylphenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
N-(3-chloro-4-methylphenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E715-0576 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-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: | Cc1ccc(cc1[Cl])NC(C1CCN(CC1)c1c2c(ncn1)n1CCCCCc1n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6401 |
| logD: | 4.6334 |
| logSw: | -4.7561 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.687 |
| InChI Key: | XYQMZJRMLYNPRO-UHFFFAOYSA-N |