N-[(2,5-dimethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[(2,5-dimethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
N-[(2,5-dimethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E715-0105 |
| Compound Name: | N-[(2,5-dimethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide |
| Molecular Weight: | 464.57 |
| Molecular Formula: | C25 H32 N6 O3 |
| Smiles: | COc1ccc(c(CNC(C2CCCN(C2)c2c3c(ncn2)n2CCCCCc2n3)=O)c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9839 |
| logD: | 2.9781 |
| logSw: | -3.2856 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.117 |
| InChI Key: | UJBVXTKXFXTEDY-KRWDZBQOSA-N |