2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)-N-[4-(propan-2-yl)phenyl]acetamide
2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | E714-0055 |
| Compound Name: | 2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 379.46 |
| Molecular Formula: | C21 H25 N5 O2 |
| Smiles: | CC(C)c1ccc(cc1)NC(CN1C=Nc2c(C1=O)nc1CCCCCn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3218 |
| logD: | 3.3211 |
| logSw: | -3.4681 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.278 |
| InChI Key: | SYVJQEPSZJXSLB-UHFFFAOYSA-N |