5-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(4-ethylbenzene-1-sulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
5-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(4-ethylbenzene-1-sulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine
5-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(4-ethylbenzene-1-sulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | C200-4685 |
| Compound Name: | 5-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(4-ethylbenzene-1-sulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 532.69 |
| Molecular Formula: | C27 H28 N6 O2 S2 |
| Smiles: | CCc1ccc(cc1)S(c1c2nc(c3c(ccs3)n2nn1)N1CCN(CC1)c1cc(C)ccc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.84 |
| logD: | 6.84 |
| logSw: | -5.7415 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.106 |
| InChI Key: | XRBNWODZFSNHIK-UHFFFAOYSA-N |