3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one
Chemical Structure Depiction of
3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one
3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one
Compound characteristics
| Compound ID: | C849-0499 |
| Compound Name: | 3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one |
| Molecular Weight: | 470.49 |
| Molecular Formula: | C25 H25 F3 N4 O2 |
| Smiles: | C1CCC2=Nc3cc(ccc3C(N2CC1)=O)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2149 |
| logD: | 3.2148 |
| logSw: | -3.6058 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.628 |
| InChI Key: | CSQCPJSWRHZYAC-UHFFFAOYSA-N |