3-benzyl-7-[4-(2,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Chemical Structure Depiction of
3-benzyl-7-[4-(2,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
3-benzyl-7-[4-(2,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | G867-0242 |
| Compound Name: | 3-benzyl-7-[4-(2,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine |
| Molecular Weight: | 463.56 |
| Molecular Formula: | C23 H25 N7 O2 S |
| Smiles: | Cc1ccc(c(C)c1)S(N1CCN(CC1)c1c2c(ncn1)n(Cc1ccccc1)nn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6423 |
| logD: | 3.6422 |
| logSw: | -3.7479 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.008 |
| InChI Key: | QSFGPSHQESTVRG-UHFFFAOYSA-N |