9-tert-butyl-2-[2-(3,5-dimethyl-4-nitro-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-(3,5-dimethyl-4-nitro-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-(3,5-dimethyl-4-nitro-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: | Y502-2797 |
| Compound Name: | 9-tert-butyl-2-[2-(3,5-dimethyl-4-nitro-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: | 453.57 |
| Molecular Formula: | C22 H27 N7 O2 S |
| Smiles: | Cc1c(c(C)n(CCc2nc3c4c5CCC(Cc5sc4N=Cn3n2)C(C)(C)C)n1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9953 |
| logD: | 3.9952 |
| logSw: | -4.3364 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.878 |
| InChI Key: | HQTNEEKKIUNGIG-CQSZACIVSA-N |