2-(4-bromo-1-methyl-1H-pyrazol-5-yl)-9-tert-butyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-(4-bromo-1-methyl-1H-pyrazol-5-yl)-9-tert-butyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-(4-bromo-1-methyl-1H-pyrazol-5-yl)-9-tert-butyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-2692 |
| Compound Name: | 2-(4-bromo-1-methyl-1H-pyrazol-5-yl)-9-tert-butyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 445.38 |
| Molecular Formula: | C19 H21 Br N6 S |
| Smiles: | CC(C)(C)C1CCc2c3c4nc(c5c(cnn5C)[Br])nn4C=Nc3sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4374 |
| logD: | 4.4374 |
| logSw: | -4.4241 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 47.092 |
| InChI Key: | HYSNMRHLGUDDFC-SNVBAGLBSA-N |