9-(2-methylbutan-2-yl)-2-{4-[(4-nitro-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-(2-methylbutan-2-yl)-2-{4-[(4-nitro-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-(2-methylbutan-2-yl)-2-{4-[(4-nitro-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: | Y502-3029 |
| Compound Name: | 9-(2-methylbutan-2-yl)-2-{4-[(4-nitro-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: | 501.61 |
| Molecular Formula: | C26 H27 N7 O2 S |
| Smiles: | CCC(C)(C)C1CCc2c3c4nc(c5ccc(Cn6cc(cn6)[N+]([O-])=O)cc5)nn4C=Nc3sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1468 |
| logD: | 5.1467 |
| logSw: | -5.0505 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.463 |
| InChI Key: | MRJBHJUOKQGTQO-GOSISDBHSA-N |