N-[(2,5-dimethoxyphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-amine
Chemical Structure Depiction of
N-[(2,5-dimethoxyphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-amine
N-[(2,5-dimethoxyphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-amine
Compound characteristics
| Compound ID: | E679-0795 |
| Compound Name: | N-[(2,5-dimethoxyphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-amine |
| Molecular Weight: | 353.42 |
| Molecular Formula: | C19 H23 N5 O2 |
| Smiles: | COc1ccc(c(CNc2c3c(ncn2)n2CCCCCc2n3)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0197 |
| logD: | 3.0179 |
| logSw: | -3.2061 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.258 |
| InChI Key: | XKJXUBWLWZUAGD-UHFFFAOYSA-N |