rel-(5R,7S)-5-(2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | G951-0092 |
| Compound Name: | rel-(5R,7S)-5-(2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine |
| Molecular Weight: | 355.78 |
| Molecular Formula: | C17 H14 Cl N5 O2 |
| Smiles: | C1[C@@H](c2ccc3c(c2)OCO3)Nc2nnnn2[C@H]1c1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5332 |
| logD: | 3.5332 |
| logSw: | -4.0766 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.661 |
| InChI Key: | AECLAPXDBHRPIX-KBPBESRZSA-N |