N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Chemical Structure Depiction of
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | C066-3522 |
| Compound Name: | N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide |
| Molecular Weight: | 501.57 |
| Molecular Formula: | C25 H26 F3 N5 O S |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=S |
| Stereo: | ACHIRAL |
| logP: | 4.5825 |
| logD: | 4.5821 |
| logSw: | -4.2681 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.878 |
| InChI Key: | KJUONEXHKODECD-UHFFFAOYSA-N |