N~1~-ethyl-N~1~-(2-fluorophenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Chemical Structure Depiction of
N~1~-ethyl-N~1~-(2-fluorophenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
N~1~-ethyl-N~1~-(2-fluorophenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Compound characteristics
| Compound ID: | C909-0100 |
| Compound Name: | N~1~-ethyl-N~1~-(2-fluorophenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C23 H23 F N4 O3 |
| Smiles: | CCN(C(C(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=O)=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 2.9087 |
| logD: | 2.6901 |
| logSw: | -3.5908 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.129 |
| InChI Key: | XYFFCGREGVIDJB-UHFFFAOYSA-N |