rel-(5R,7S)-7-(3-bromophenyl)-5-(4-ethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-7-(3-bromophenyl)-5-(4-ethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-7-(3-bromophenyl)-5-(4-ethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | 6321-0224 |
| Compound Name: | rel-(5R,7S)-7-(3-bromophenyl)-5-(4-ethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 399.29 |
| Molecular Formula: | C19 H19 Br N4 O |
| Smiles: | CCOc1ccc(cc1)[C@@H]1C[C@H](c2cccc(c2)[Br])n2c(N1)ncn2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.6221 |
| logD: | 4.622 |
| logSw: | -4.3168 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.192 |
| InChI Key: | NAJRNCBWIZWGEZ-ROUUACIJSA-N |