8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-(3-methylphenyl)[1,2,3]triazolo[1,5-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-(3-methylphenyl)[1,2,3]triazolo[1,5-a]quinazolin-5(4H)-one
8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-(3-methylphenyl)[1,2,3]triazolo[1,5-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | E543-0228 |
| Compound Name: | 8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-(3-methylphenyl)[1,2,3]triazolo[1,5-a]quinazolin-5(4H)-one |
| Molecular Weight: | 492.58 |
| Molecular Formula: | C29 H28 N6 O2 |
| Smiles: | Cc1cccc(c1)c1c2NC(c3ccc(cc3n2nn1)C(N1CCN(CC1)c1cc(C)ccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5672 |
| logD: | 4.5672 |
| logSw: | -4.2352 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.838 |
| InChI Key: | BVKHOLNKDVCOBC-UHFFFAOYSA-N |