2-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-1507 |
| Compound Name: | 2-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C22 H22 N6 O S |
| Smiles: | CC1CCc2c3c4nc(c5ccc(Cn6c(C)cc(C)n6)o5)nn4C=Nc3sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7787 |
| logD: | 3.7787 |
| logSw: | -4.1775 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.153 |
| InChI Key: | RIBDCIODNFLISV-GFCCVEGCSA-N |