4-[(4-fluorophenyl)methyl]-1-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-[(4-fluorophenyl)methyl]-1-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-[(4-fluorophenyl)methyl]-1-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0542 |
| Compound Name: | 4-[(4-fluorophenyl)methyl]-1-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 578.57 |
| Molecular Formula: | C30 H26 F4 N6 O2 |
| Smiles: | C(Cc1nnc2N(Cc3ccc(cc3)F)C(c3ccccc3n12)=O)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9573 |
| logD: | 3.9573 |
| logSw: | -4.2099 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.359 |
| InChI Key: | UTKDMMYQGSNFLT-UHFFFAOYSA-N |