2-[5-(2H-1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[5-(2H-1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[5-(2H-1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-1535 |
| Compound Name: | 2-[5-(2H-1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 402.43 |
| Molecular Formula: | C20 H14 N6 O2 S |
| Smiles: | C1Cc2c3c4nc(c5cc(c6ccc7c(c6)OCO7)[nH]n5)nn4C=Nc3sc2C1 |
| Stereo: | ACHIRAL |
| logP: | 3.9047 |
| logD: | 3.9046 |
| logSw: | -4.4148 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.547 |
| InChI Key: | QAGLGHFBAMCOQZ-UHFFFAOYSA-N |