rel-(5R,7S)-7-(3,4-dimethoxyphenyl)-5-(4-iodophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-7-(3,4-dimethoxyphenyl)-5-(4-iodophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
rel-(5R,7S)-7-(3,4-dimethoxyphenyl)-5-(4-iodophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-3606 |
| Compound Name: | rel-(5R,7S)-7-(3,4-dimethoxyphenyl)-5-(4-iodophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine |
| Molecular Weight: | 463.28 |
| Molecular Formula: | C18 H18 I N5 O2 |
| Smiles: | COc1ccc(cc1OC)[C@H]1C[C@@H](c2ccc(cc2)I)Nc2nnnn12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9397 |
| logD: | 3.9397 |
| logSw: | -4.0631 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.806 |
| InChI Key: | VDZMJLKQIUQOMF-HUUCEWRRSA-N |