N-{3-[ethyl(3-methylphenyl)amino]propyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-{3-[ethyl(3-methylphenyl)amino]propyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
N-{3-[ethyl(3-methylphenyl)amino]propyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E715-0440 |
| Compound Name: | N-{3-[ethyl(3-methylphenyl)amino]propyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide |
| Molecular Weight: | 489.66 |
| Molecular Formula: | C28 H39 N7 O |
| Smiles: | CCN(CCCNC(C1CCN(CC1)c1c2c(ncn1)n1CCCCCc1n2)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3275 |
| logD: | 4.2952 |
| logSw: | -4.0789 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.84 |
| InChI Key: | PPUSVIOVCIZFDK-UHFFFAOYSA-N |