3-benzyl-7-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Chemical Structure Depiction of
3-benzyl-7-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
3-benzyl-7-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | G867-0228 |
| Compound Name: | 3-benzyl-7-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine |
| Molecular Weight: | 493.54 |
| Molecular Formula: | C23 H23 N7 O4 S |
| Smiles: | C1CN(CCN1c1c2c(ncn1)n(Cc1ccccc1)nn2)S(c1ccc2c(c1)OCCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8434 |
| logD: | 1.8433 |
| logSw: | -2.5479 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 97.831 |
| InChI Key: | YPYRCQNPCKNHAB-UHFFFAOYSA-N |