rel-(5R,7S)-5-(4-iodophenyl)-7-(thiophen-2-yl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-iodophenyl)-7-(thiophen-2-yl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(4-iodophenyl)-7-(thiophen-2-yl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-3642 |
| Compound Name: | rel-(5R,7S)-5-(4-iodophenyl)-7-(thiophen-2-yl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 408.26 |
| Molecular Formula: | C15 H13 I N4 S |
| Smiles: | C1[C@@H](c2ccc(cc2)I)Nc2ncnn2[C@H]1c1cccs1 |
| Stereo: | RELATIVE |
| logP: | 4.2632 |
| logD: | 4.2629 |
| logSw: | -4.3954 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.087 |
| InChI Key: | YLHYSSXVAKCIGQ-STQMWFEESA-N |