rel-(5R,7S)-7-(2,3-dimethoxyphenyl)-5-(4-iodophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-7-(2,3-dimethoxyphenyl)-5-(4-iodophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
rel-(5R,7S)-7-(2,3-dimethoxyphenyl)-5-(4-iodophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Compound characteristics
Compound ID: | K832-4219 |
Compound Name: | rel-(5R,7S)-7-(2,3-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: | COc1cccc(c1OC)[C@H]1C[C@@H](c2ccc(cc2)I)Nc2nnnn12 |
Stereo: | RELATIVE |
logP: | 4.1594 |
logD: | 4.1594 |
logSw: | -4.3539 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.893 |
InChI Key: | LGTDJDJTHPXIAB-HUUCEWRRSA-N |