N-[(4-methylphenyl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
N-[(4-methylphenyl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E715-0095 |
| Compound Name: | N-[(4-methylphenyl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C24 H30 N6 O |
| Smiles: | Cc1ccc(CNC(C2CCCN(C2)c2c3c(ncn2)n2CCCCCc2n3)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2072 |
| logD: | 3.2014 |
| logSw: | -3.2015 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.942 |
| InChI Key: | NVNDAEQFYPEICF-IBGZPJMESA-N |