N-[2-(2,3-dimethoxyphenyl)ethyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[2-(2,3-dimethoxyphenyl)ethyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
N-[2-(2,3-dimethoxyphenyl)ethyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E715-0157 |
| Compound Name: | N-[2-(2,3-dimethoxyphenyl)ethyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide |
| Molecular Weight: | 478.59 |
| Molecular Formula: | C26 H34 N6 O3 |
| Smiles: | COc1cccc(CCNC(C2CCCN(C2)c2c3c(ncn2)n2CCCCCc2n3)=O)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1863 |
| logD: | 3.1805 |
| logSw: | -3.1592 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.131 |
| InChI Key: | IBTGUTOLGZAFGL-IBGZPJMESA-N |