N-(4-bromo-2-methylphenyl)-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
N-(4-bromo-2-methylphenyl)-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
Compound characteristics
| Compound ID: | E714-0025 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide |
| Molecular Weight: | 430.3 |
| Molecular Formula: | C19 H20 Br N5 O2 |
| Smiles: | Cc1cc(ccc1NC(CN1C=Nc2c(C1=O)nc1CCCCCn12)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.8018 |
| logD: | 2.8009 |
| logSw: | -3.0364 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.58 |
| InChI Key: | QNSMDGQVBRDSEX-UHFFFAOYSA-N |