3-(4-methylphenyl)-7-[4-(propane-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Chemical Structure Depiction of
3-(4-methylphenyl)-7-[4-(propane-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
3-(4-methylphenyl)-7-[4-(propane-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | G867-0037 |
| Compound Name: | 3-(4-methylphenyl)-7-[4-(propane-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C18 H23 N7 O2 S |
| Smiles: | CCCS(N1CCN(CC1)c1c2c(ncn1)n(c1ccc(C)cc1)nn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3115 |
| logD: | 2.3115 |
| logSw: | -2.5057 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.31 |
| InChI Key: | ZYSGQCQFGCWZDB-UHFFFAOYSA-N |