3-(3,4-dimethylbenzene-1-sulfonyl)-5-[4-(4-nitrophenyl)piperazin-1-yl][1,2,3]triazolo[1,5-a]quinazoline
Chemical Structure Depiction of
3-(3,4-dimethylbenzene-1-sulfonyl)-5-[4-(4-nitrophenyl)piperazin-1-yl][1,2,3]triazolo[1,5-a]quinazoline
3-(3,4-dimethylbenzene-1-sulfonyl)-5-[4-(4-nitrophenyl)piperazin-1-yl][1,2,3]triazolo[1,5-a]quinazoline
Compound characteristics
| Compound ID: | E694-0324 |
| Compound Name: | 3-(3,4-dimethylbenzene-1-sulfonyl)-5-[4-(4-nitrophenyl)piperazin-1-yl][1,2,3]triazolo[1,5-a]quinazoline |
| Molecular Weight: | 543.6 |
| Molecular Formula: | C27 H25 N7 O4 S |
| Smiles: | Cc1ccc(cc1C)S(c1c2nc(c3ccccc3n2nn1)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.78 |
| logD: | 5.78 |
| logSw: | -5.8358 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 101.77 |
| InChI Key: | OARORSHHMMAWLN-UHFFFAOYSA-N |