N-benzyl-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)-N-[(thiophen-2-yl)methyl]piperidine-3-carboxamide
Chemical Structure Depiction of
N-benzyl-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)-N-[(thiophen-2-yl)methyl]piperidine-3-carboxamide
N-benzyl-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)-N-[(thiophen-2-yl)methyl]piperidine-3-carboxamide
Compound characteristics
| Compound ID: | C066-4232 |
| Compound Name: | N-benzyl-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)-N-[(thiophen-2-yl)methyl]piperidine-3-carboxamide |
| Molecular Weight: | 500.67 |
| Molecular Formula: | C28 H32 N6 O S |
| Smiles: | C1CCc2nc3c(ncnc3n2CC1)N1CCCC(C1)C(N(Cc1ccccc1)Cc1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5521 |
| logD: | 4.5463 |
| logSw: | -4.3217 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.487 |
| InChI Key: | IRDCUWOZYWKPEQ-QFIPXVFZSA-N |