N~1~-methyl-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N~1~-[3-(trifluoromethyl)phenyl]ethanediamide
Chemical Structure Depiction of
N~1~-methyl-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N~1~-[3-(trifluoromethyl)phenyl]ethanediamide
N~1~-methyl-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N~1~-[3-(trifluoromethyl)phenyl]ethanediamide
Compound characteristics
| Compound ID: | C909-0105 |
| Compound Name: | N~1~-methyl-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N~1~-[3-(trifluoromethyl)phenyl]ethanediamide |
| Molecular Weight: | 458.44 |
| Molecular Formula: | C23 H21 F3 N4 O3 |
| Smiles: | CN(C(C(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=O)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.2149 |
| logD: | 3.1818 |
| logSw: | -3.7191 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.452 |
| InChI Key: | LIZHWQOWVPBLQD-UHFFFAOYSA-N |