9-tert-butyl-2-[3-(2H-tetrazol-2-yl)adamantan-1-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-[3-(2H-tetrazol-2-yl)adamantan-1-yl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
9-tert-butyl-2-[3-(2H-tetrazol-2-yl)adamantan-1-yl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-2796 |
| Compound Name: | 9-tert-butyl-2-[3-(2H-tetrazol-2-yl)adamantan-1-yl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 488.66 |
| Molecular Formula: | C26 H32 N8 S |
| Smiles: | CC(C)(C)C1CCc2c3c4nc(C56CC7CC(C5)CC(C7)(C6)n5ncnn5)nn4C=Nc3sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.959 |
| logD: | 5.9586 |
| logSw: | -5.7386 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 72.521 |
| InChI Key: | VVDKEJHIHAJRPW-UHFFFAOYSA-N |