N~1~-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)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~-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
N~1~-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Compound characteristics
| Compound ID: | C909-0162 |
| Compound Name: | N~1~-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide |
| Molecular Weight: | 462.5 |
| Molecular Formula: | C25 H26 N4 O5 |
| Smiles: | CC(c1ccc2c(c1)OCCO2)NC(C(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6587 |
| logD: | 1.5433 |
| logSw: | -2.661 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.482 |
| InChI Key: | YZJLYEGRRONCLA-HNNXBMFYSA-N |