rel-(5R,7R)-7-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-5-methyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7R)-7-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-5-methyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7R)-7-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-5-methyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | Y020-6078 |
| Compound Name: | rel-(5R,7R)-7-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-5-methyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 318.37 |
| Molecular Formula: | C16 H22 N4 O3 |
| Smiles: | C[C@@H]1C[C@H](c2ccc(c(c2)OC)OC)n2c(N1)nc(COC)n2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8787 |
| logD: | 1.8773 |
| logSw: | -2.369 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.573 |
| InChI Key: | KUDNLKDZXVWHJZ-PWSUYJOCSA-N |