4-[(2-chlorophenyl)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-[(2-chlorophenyl)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-[(2-chlorophenyl)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: | C741-0743 |
| Compound Name: | 4-[(2-chlorophenyl)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: | 595.02 |
| Molecular Formula: | C30 H26 Cl F3 N6 O2 |
| Smiles: | C(Cc1nnc2N(Cc3ccccc3[Cl])C(c3ccccc3n12)=O)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4122 |
| logD: | 4.4122 |
| logSw: | -4.5874 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.359 |
| InChI Key: | DJAUQSDJQGHVKF-UHFFFAOYSA-N |