N-[(4-ethylphenyl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(4-ethylphenyl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
N-[(4-ethylphenyl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E715-0473 |
| Compound Name: | N-[(4-ethylphenyl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide |
| Molecular Weight: | 432.57 |
| Molecular Formula: | C25 H32 N6 O |
| Smiles: | CCc1ccc(CNC(C2CCN(CC2)c2c3c(ncn2)n2CCCCCc2n3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8694 |
| logD: | 3.8636 |
| logSw: | -3.7348 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.009 |
| InChI Key: | BEMCASCOAAFGIK-UHFFFAOYSA-N |