N-(2,3-dimethylcyclohexyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-(2,3-dimethylcyclohexyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
N-(2,3-dimethylcyclohexyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | C066-4205 |
| Compound Name: | N-(2,3-dimethylcyclohexyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide |
| Molecular Weight: | 424.59 |
| Molecular Formula: | C24 H36 N6 O |
| Smiles: | CC1CCCC(C1C)NC(C1CCCN(C1)c1c2c(ncn1)n1CCCCCc1n2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2269 |
| logD: | 3.2212 |
| logSw: | -3.7218 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.058 |
| InChI Key: | KSXAIWQJKUIRPO-UHFFFAOYSA-N |