rel-(5R,7S)-5-(4-iodophenyl)-7-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-iodophenyl)-7-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(4-iodophenyl)-7-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-3563 |
| Compound Name: | rel-(5R,7S)-5-(4-iodophenyl)-7-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 432.26 |
| Molecular Formula: | C18 H17 I N4 O |
| Smiles: | COc1ccc(cc1)[C@H]1C[C@@H](c2ccc(cc2)I)Nc2ncnn12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.5984 |
| logD: | 4.5983 |
| logSw: | -4.3664 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.612 |
| InChI Key: | DMEXEPRWXUVGBC-IAGOWNOFSA-N |