2-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-9-(2-methylbutan-2-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-9-(2-methylbutan-2-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-9-(2-methylbutan-2-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-3023 |
| Compound Name: | 2-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-9-(2-methylbutan-2-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 536.14 |
| Molecular Formula: | C28 H34 Cl N7 S |
| Smiles: | CCC(C)(C)C1CCc2c3c4nc(C56CC7CC(C5)CC(C7)(C6)n5cnc(n5)[Cl])nn4C=Nc3sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5573 |
| logD: | 6.5569 |
| logSw: | -6.806 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 56.941 |
| InChI Key: | DLDOAEOBTZNAQJ-UHFFFAOYSA-N |