rel-(5R,7S)-5-(4-iodophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-iodophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(4-iodophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-4238 |
| Compound Name: | rel-(5R,7S)-5-(4-iodophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 492.31 |
| Molecular Formula: | C20 H21 I N4 O3 |
| Smiles: | COc1ccc(c(c1OC)OC)[C@H]1C[C@@H](c2ccc(cc2)I)Nc2ncnn12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.5415 |
| logD: | 4.5414 |
| logSw: | -4.334 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.133 |
| InChI Key: | MIGMDJYRUJBWID-HZPDHXFCSA-N |