5-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(4-methylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazoline
Chemical Structure Depiction of
5-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(4-methylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazoline
5-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(4-methylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazoline
Compound characteristics
| Compound ID: | E694-0078 |
| Compound Name: | 5-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(4-methylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazoline |
| Molecular Weight: | 512.63 |
| Molecular Formula: | C28 H28 N6 O2 S |
| Smiles: | Cc1ccc(cc1)S(c1c2nc(c3ccccc3n2nn1)N1CCN(CC1)c1cc(C)ccc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.425 |
| logD: | 6.425 |
| logSw: | -6.0081 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.088 |
| InChI Key: | NRRARMIDVJVULT-UHFFFAOYSA-N |