9-tert-butyl-2-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}-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-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
9-tert-butyl-2-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-2784 |
| Compound Name: | 9-tert-butyl-2-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 477.03 |
| Molecular Formula: | C25 H25 Cl N6 S |
| Smiles: | CC(C)(C)C1CCc2c3c4nc(c5ccc(Cn6cc(cn6)[Cl])cc5)nn4C=Nc3sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9251 |
| logD: | 5.925 |
| logSw: | -6.5025 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 48.082 |
| InChI Key: | PZMPTAQXEHGUDS-QGZVFWFLSA-N |