7-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Chemical Structure Depiction of
7-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
7-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | G867-0005 |
| Compound Name: | 7-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine |
| Molecular Weight: | 435.51 |
| Molecular Formula: | C21 H21 N7 O2 S |
| Smiles: | Cc1ccc(cc1)S(N1CCN(CC1)c1c2c(ncn1)n(c1ccccc1)nn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2086 |
| logD: | 3.2086 |
| logSw: | -3.3435 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.144 |
| InChI Key: | KTDAEWCRQVYWIO-UHFFFAOYSA-N |