rel-(5R,7S)-7-(2-chlorophenyl)-5-(4-ethylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-7-(2-chlorophenyl)-5-(4-ethylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
rel-(5R,7S)-7-(2-chlorophenyl)-5-(4-ethylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-3027 |
| Compound Name: | rel-(5R,7S)-7-(2-chlorophenyl)-5-(4-ethylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine |
| Molecular Weight: | 339.83 |
| Molecular Formula: | C18 H18 Cl N5 |
| Smiles: | CCc1ccc(cc1)[C@@H]1C[C@H](c2ccccc2[Cl])n2c(N1)nnn2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.6062 |
| logD: | 4.6062 |
| logSw: | -4.9288 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.546 |
| InChI Key: | MLVBPASJEIAGND-IRXDYDNUSA-N |