N~1~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N~3~-[3-(trifluoromethyl)phenyl]propanediamide
Chemical Structure Depiction of
N~1~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N~3~-[3-(trifluoromethyl)phenyl]propanediamide
N~1~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N~3~-[3-(trifluoromethyl)phenyl]propanediamide
Compound characteristics
| Compound ID: | C865-0007 |
| Compound Name: | N~1~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N~3~-[3-(trifluoromethyl)phenyl]propanediamide |
| Molecular Weight: | 458.44 |
| Molecular Formula: | C23 H21 F3 N4 O3 |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(CC(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2979 |
| logD: | 3.2974 |
| logSw: | -3.7619 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.747 |
| InChI Key: | WDCXIXQMERSGKH-UHFFFAOYSA-N |