N~1~-[2-(dimethylamino)ethyl]-N~1~-ethyl-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Chemical Structure Depiction of
N~1~-[2-(dimethylamino)ethyl]-N~1~-ethyl-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
N~1~-[2-(dimethylamino)ethyl]-N~1~-ethyl-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Compound characteristics
| Compound ID: | C909-0198 |
| Compound Name: | N~1~-[2-(dimethylamino)ethyl]-N~1~-ethyl-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C21 H29 N5 O3 |
| Smiles: | CCN(CCN(C)C)C(C(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2872 |
| logD: | 1.2872 |
| logSw: | -2.4711 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.134 |
| InChI Key: | AFTKZIDPDRIRGL-UHFFFAOYSA-N |