rel-(5R,7S)-5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-4084 |
| Compound Name: | rel-(5R,7S)-5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine |
| Molecular Weight: | 421.83 |
| Molecular Formula: | C19 H18 Cl F2 N5 O2 |
| Smiles: | CCOc1ccc(cc1[Cl])[C@@H]1C[C@H](c2ccc(cc2)OC(F)F)n2c(N1)nnn2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.8865 |
| logD: | 3.8865 |
| logSw: | -4.4481 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.361 |
| InChI Key: | MZJXAYPCQKAFLE-HZPDHXFCSA-N |