N-(3-chloro-4-fluorophenyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-amine
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-amine
N-(3-chloro-4-fluorophenyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-amine
Compound characteristics
| Compound ID: | E679-0602 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-amine |
| Molecular Weight: | 331.78 |
| Molecular Formula: | C16 H15 Cl F N5 |
| Smiles: | C1CCc2nc3c(Nc4ccc(c(c4)[Cl])F)ncnc3n2CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.8656 |
| logD: | 3.8653 |
| logSw: | -4.2146 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.762 |
| InChI Key: | FFSITPOTNLLEPZ-UHFFFAOYSA-N |