rel-(5R,7S)-5-(4-ethylphenyl)-7-[4-(methylsulfanyl)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-ethylphenyl)-7-[4-(methylsulfanyl)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(4-ethylphenyl)-7-[4-(methylsulfanyl)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | G951-0047 |
| Compound Name: | rel-(5R,7S)-5-(4-ethylphenyl)-7-[4-(methylsulfanyl)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine |
| Molecular Weight: | 351.47 |
| Molecular Formula: | C19 H21 N5 S |
| Smiles: | CCc1ccc(cc1)[C@@H]1C[C@H](c2ccc(cc2)SC)n2c(N1)nnn2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.7151 |
| logD: | 4.7151 |
| logSw: | -4.3072 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.546 |
| InChI Key: | XDXWUUIZDQQPMC-ROUUACIJSA-N |