8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-(2-fluorophenyl)[1,2,3]triazolo[1,5-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-(2-fluorophenyl)[1,2,3]triazolo[1,5-a]quinazolin-5(4H)-one
8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-(2-fluorophenyl)[1,2,3]triazolo[1,5-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | E543-0375 |
| Compound Name: | 8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-(2-fluorophenyl)[1,2,3]triazolo[1,5-a]quinazolin-5(4H)-one |
| Molecular Weight: | 496.54 |
| Molecular Formula: | C28 H25 F N6 O2 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(c1ccc2C(Nc3c(c4ccccc4F)nnn3c2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1436 |
| logD: | 4.1429 |
| logSw: | -4.2129 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.838 |
| InChI Key: | ZWDWZJIHABDSJE-UHFFFAOYSA-N |