N-(2,5-dimethylphenyl)-N-ethyl-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-N-ethyl-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
N-(2,5-dimethylphenyl)-N-ethyl-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E715-0645 |
| Compound Name: | N-(2,5-dimethylphenyl)-N-ethyl-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide |
| Molecular Weight: | 446.6 |
| Molecular Formula: | C26 H34 N6 O |
| Smiles: | CCN(C(C1CCN(CC1)c1c2c(ncn1)n1CCCCCc1n2)=O)c1cc(C)ccc1C |
| Stereo: | ACHIRAL |
| logP: | 4.9503 |
| logD: | 4.9445 |
| logSw: | -4.5768 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.642 |
| InChI Key: | XKAACBVILSHPAF-UHFFFAOYSA-N |