9-tert-butyl-2-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
9-tert-butyl-2-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
9-tert-butyl-2-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-3889 |
| Compound Name: | 9-tert-butyl-2-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 394.54 |
| Molecular Formula: | C21 H26 N6 S |
| Smiles: | Cc1ccn(CCc2nc3c4c5CCC(Cc5sc4N=Cn3n2)C(C)(C)C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8737 |
| logD: | 3.8733 |
| logSw: | -4.1779 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 49.012 |
| InChI Key: | GGWXPPWJNFDCOZ-CQSZACIVSA-N |