ethyl 4-[(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)amino]benzoate
ethyl 4-[(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)amino]benzoate
Compound characteristics
| Compound ID: | E679-0823 |
| Compound Name: | ethyl 4-[(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)amino]benzoate |
| Molecular Weight: | 351.41 |
| Molecular Formula: | C19 H21 N5 O2 |
| Smiles: | CCOC(c1ccc(cc1)Nc1c2c(ncn1)n1CCCCCc1n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7368 |
| logD: | 3.7365 |
| logSw: | -3.8895 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.516 |
| InChI Key: | UOBREFYYKXAFRB-UHFFFAOYSA-N |