9-tert-butyl-2-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-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-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
9-tert-butyl-2-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-2689 |
| Compound Name: | 9-tert-butyl-2-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 414.96 |
| Molecular Formula: | C20 H23 Cl N6 S |
| Smiles: | Cc1c(c(c2nc3c4c5CCC(Cc5sc4N=Cn3n2)C(C)(C)C)n(C)n1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4221 |
| logD: | 4.4221 |
| logSw: | -5.001 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 47.445 |
| InChI Key: | ORNOHAKKEKVCDE-LLVKDONJSA-N |