2-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-9-(2-methylbutan-2-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-9-(2-methylbutan-2-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-9-(2-methylbutan-2-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-3027 |
| Compound Name: | 2-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-9-(2-methylbutan-2-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 501.49 |
| Molecular Formula: | C23 H29 Br N6 S |
| Smiles: | CCC(C)(C)C1CCc2c3c4nc(CCn5c(C)c(c(C)n5)[Br])nn4C=Nc3sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6489 |
| logD: | 4.6488 |
| logSw: | -4.4805 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 49.098 |
| InChI Key: | KYHJNZDVTGQSIT-OAHLLOKOSA-N |