2-(2H-1,3-benzodioxol-5-yl)-5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-(2H-1,3-benzodioxol-5-yl)-5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | 8019-5898 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 364.42 |
| Molecular Formula: | C19 H16 N4 O2 S |
| Smiles: | CC1=Nc2c(c3CCCCc3s2)c2nc(c3ccc4c(c3)OCO4)nn12 |
| Stereo: | ACHIRAL |
| logP: | 4.5387 |
| logD: | 4.5379 |
| logSw: | -4.6272 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.152 |
| InChI Key: | IDXULWHSPYBWTC-UHFFFAOYSA-N |