3-benzyl-7-[4-(2,4,6-trimethylbenzene-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Chemical Structure Depiction of
3-benzyl-7-[4-(2,4,6-trimethylbenzene-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
3-benzyl-7-[4-(2,4,6-trimethylbenzene-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | G867-0225 |
| Compound Name: | 3-benzyl-7-[4-(2,4,6-trimethylbenzene-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine |
| Molecular Weight: | 477.59 |
| Molecular Formula: | C24 H27 N7 O2 S |
| Smiles: | Cc1cc(C)c(c(C)c1)S(N1CCN(CC1)c1c2c(ncn1)n(Cc1ccccc1)nn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0732 |
| logD: | 4.0731 |
| logSw: | -4.088 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.008 |
| InChI Key: | JGPKUIQKNZNCRF-UHFFFAOYSA-N |