N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E715-0208 |
| Compound Name: | N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide |
| Molecular Weight: | 501.68 |
| Molecular Formula: | C29 H39 N7 O |
| Smiles: | Cc1ccc(CN2CCC(CNC(C3CCCN(C3)c3c4c(ncn3)n3CCCCCc3n4)=O)C2)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4873 |
| logD: | -0.301 |
| logSw: | -3.4174 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.974 |
| InChI Key: | CILHQSKOHBAUFX-UHFFFAOYSA-N |