9-tert-butyl-2-[3-(5-methyl-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-(5-methyl-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-(5-methyl-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: | Y502-3032 |
| Compound Name: | 9-tert-butyl-2-[3-(5-methyl-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: | 502.68 |
| Molecular Formula: | C27 H34 N8 S |
| Smiles: | Cc1nnn(C23CC4CC(CC(C4)(C3)c3nc4c5c6CCC(Cc6sc5N=Cn4n3)C(C)(C)C)C2)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.84 |
| logD: | 5.8396 |
| logSw: | -5.6947 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 70.785 |
| InChI Key: | SKMVDDZHIIBWNB-UHFFFAOYSA-N |