N-(2,5-dimethoxyphenyl)-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)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
N-(2,5-dimethoxyphenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E715-0047 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide |
| Molecular Weight: | 450.54 |
| Molecular Formula: | C24 H30 N6 O3 |
| Smiles: | COc1ccc(c(c1)NC(C1CCCN(C1)c1c2c(ncn1)n1CCCCCc1n2)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0769 |
| logD: | 3.0672 |
| logSw: | -3.3943 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.096 |
| InChI Key: | BTZHAKDIODWFBV-INIZCTEOSA-N |