rel-(5R,7S)-5-(4-ethylphenyl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-ethylphenyl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(4-ethylphenyl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-3019 |
| Compound Name: | rel-(5R,7S)-5-(4-ethylphenyl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C21 H25 N5 O3 |
| Smiles: | CCc1ccc(cc1)[C@@H]1C[C@H](c2cc(c(c(c2)OC)OC)OC)n2c(N1)nnn2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.7486 |
| logD: | 3.7486 |
| logSw: | -3.9853 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.523 |
| InChI Key: | QGFYODCYXWBQNB-IRXDYDNUSA-N |