rel-(5R,7S)-7-(3,4-dimethoxyphenyl)-5-(4-iodophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-7-(3,4-dimethoxyphenyl)-5-(4-iodophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-7-(3,4-dimethoxyphenyl)-5-(4-iodophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-3605 |
| Compound Name: | rel-(5R,7S)-7-(3,4-dimethoxyphenyl)-5-(4-iodophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 462.29 |
| Molecular Formula: | C19 H19 I N4 O2 |
| Smiles: | COc1ccc(cc1OC)[C@H]1C[C@@H](c2ccc(cc2)I)Nc2ncnn12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.2801 |
| logD: | 4.28 |
| logSw: | -4.3735 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.329 |
| InChI Key: | YBSKBPGHZMJKFB-HZPDHXFCSA-N |