methyl 5-[(1~1~,1~5~,3~1~,3~5~-tetramethyl-1~1~H,2~1~H,3~1~H-[1~4~,2~3~:2~5~,3~4~-terpyrazol]-2~1~-yl)methyl]furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-[(1~1~,1~5~,3~1~,3~5~-tetramethyl-1~1~H,2~1~H,3~1~H-[1~4~,2~3~:2~5~,3~4~-terpyrazol]-2~1~-yl)methyl]furan-2-carboxylate
methyl 5-[(1~1~,1~5~,3~1~,3~5~-tetramethyl-1~1~H,2~1~H,3~1~H-[1~4~,2~3~:2~5~,3~4~-terpyrazol]-2~1~-yl)methyl]furan-2-carboxylate
Compound characteristics
| Compound ID: | Y505-7109 |
| Compound Name: | methyl 5-[(1~1~,1~5~,3~1~,3~5~-tetramethyl-1~1~H,2~1~H,3~1~H-[1~4~,2~3~:2~5~,3~4~-terpyrazol]-2~1~-yl)methyl]furan-2-carboxylate |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C20 H22 N6 O3 |
| Smiles: | Cc1c(cnn1C)c1cc(c2cnn(C)c2C)n(Cc2ccc(C(=O)OC)o2)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.9441 |
| logD: | 1.9441 |
| logSw: | -2.5633 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.642 |
| InChI Key: | MQHKMGKGYYBMOQ-UHFFFAOYSA-N |