3-benzyl-7-[4-(3-chlorobenzene-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Chemical Structure Depiction of
3-benzyl-7-[4-(3-chlorobenzene-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
3-benzyl-7-[4-(3-chlorobenzene-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | G867-0236 |
| Compound Name: | 3-benzyl-7-[4-(3-chlorobenzene-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine |
| Molecular Weight: | 469.95 |
| Molecular Formula: | C21 H20 Cl N7 O2 S |
| Smiles: | C1CN(CCN1c1c2c(ncn1)n(Cc1ccccc1)nn2)S(c1cccc(c1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3939 |
| logD: | 3.3938 |
| logSw: | -3.5676 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.008 |
| InChI Key: | QRSIJJBTLBWBIE-UHFFFAOYSA-N |