ethyl 2-[(adamantan-1-yl)methyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Chemical Structure Depiction of
ethyl 2-[(adamantan-1-yl)methyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
ethyl 2-[(adamantan-1-yl)methyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | Y502-2172 |
| Compound Name: | ethyl 2-[(adamantan-1-yl)methyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 410.54 |
| Molecular Formula: | C22 H26 N4 O2 S |
| Smiles: | CCOC(c1c(C)c2c3nc(CC45CC6CC(CC(C6)C5)C4)nn3cnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2937 |
| logD: | 5.2905 |
| logSw: | -5.3524 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.897 |
| InChI Key: | YYKLMKDPLQBOEG-UHFFFAOYSA-N |