N-[2-(3,4-diethoxyphenyl)ethyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-amine
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-amine
N-[2-(3,4-diethoxyphenyl)ethyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-amine
Compound characteristics
| Compound ID: | E679-0741 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-amine |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C22 H29 N5 O2 |
| Smiles: | CCOc1ccc(CCNc2c3c(ncn2)n2CCCCCc2n3)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.1845 |
| logD: | 3.1828 |
| logSw: | -3.0716 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.346 |
| InChI Key: | JZNXXULUDDNJBD-UHFFFAOYSA-N |