N~1~-(2,5-difluorophenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Chemical Structure Depiction of
N~1~-(2,5-difluorophenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
N~1~-(2,5-difluorophenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Compound characteristics
| Compound ID: | C909-0208 |
| Compound Name: | N~1~-(2,5-difluorophenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide |
| Molecular Weight: | 412.39 |
| Molecular Formula: | C21 H18 F2 N4 O3 |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(C(Nc1cc(ccc1F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7197 |
| logD: | 1.0958 |
| logSw: | -3.5013 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.476 |
| InChI Key: | HLPLGHOFCSLMOT-UHFFFAOYSA-N |