rel-(5R,7S)-5-(4-methoxyphenyl)-7-[4-(methylsulfanyl)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-methoxyphenyl)-7-[4-(methylsulfanyl)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(4-methoxyphenyl)-7-[4-(methylsulfanyl)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | G951-0210 |
| Compound Name: | rel-(5R,7S)-5-(4-methoxyphenyl)-7-[4-(methylsulfanyl)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C18 H19 N5 O S |
| Smiles: | COc1ccc(cc1)[C@@H]1C[C@H](c2ccc(cc2)SC)n2c(N1)nnn2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.7668 |
| logD: | 3.7668 |
| logSw: | -4.1387 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.089 |
| InChI Key: | RSUFPSHLYLOLKW-IRXDYDNUSA-N |