rel-(5R,7S)-7-(2-chloro-6-fluorophenyl)-5-(4-iodophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-7-(2-chloro-6-fluorophenyl)-5-(4-iodophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
rel-(5R,7S)-7-(2-chloro-6-fluorophenyl)-5-(4-iodophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-4222 |
| Compound Name: | rel-(5R,7S)-7-(2-chloro-6-fluorophenyl)-5-(4-iodophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine |
| Molecular Weight: | 455.66 |
| Molecular Formula: | C16 H12 Cl F I N5 |
| Smiles: | C1[C@@H](c2ccc(cc2)I)Nc2nnnn2[C@H]1c1c(cccc1[Cl])F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.6761 |
| logD: | 4.6761 |
| logSw: | -5.2092 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.546 |
| InChI Key: | RYQOYVIRPQWRQR-ZIAGYGMSSA-N |