ethyl 2-{[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 2-{[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carbonyl]amino}benzoate
ethyl 2-{[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E715-0048 |
| Compound Name: | ethyl 2-{[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carbonyl]amino}benzoate |
| Molecular Weight: | 462.55 |
| Molecular Formula: | C25 H30 N6 O3 |
| Smiles: | CCOC(c1ccccc1NC(C1CCCN(C1)c1c2c(ncn1)n1CCCCCc1n2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6617 |
| logD: | 3.5507 |
| logSw: | -3.7413 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.676 |
| InChI Key: | VIWRMLXLXCYBLD-KRWDZBQOSA-N |