7-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Chemical Structure Depiction of
7-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
7-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | G867-0049 |
| Compound Name: | 7-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine |
| Molecular Weight: | 493.54 |
| Molecular Formula: | C23 H23 N7 O4 S |
| Smiles: | Cc1ccc(cc1)n1c2c(c(ncn2)N2CCN(CC2)S(c2ccc3c(c2)OCCO3)(=O)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.3741 |
| logD: | 2.3741 |
| logSw: | -2.7059 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 97.967 |
| InChI Key: | SUPUEIDFFHZFMG-UHFFFAOYSA-N |