N~1~-ethyl-N~1~-(4-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~-(4-fluorophenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
N~1~-ethyl-N~1~-(4-fluorophenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Compound characteristics
| Compound ID: | C909-0121 |
| Compound Name: | N~1~-ethyl-N~1~-(4-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)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.9611 |
| logD: | 2.9296 |
| logSw: | -3.5338 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.43 |
| InChI Key: | SMWFBDMOGAAGBZ-UHFFFAOYSA-N |