rel-(5R,7S)-7-[4-(benzyloxy)phenyl]-5-(3-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-7-[4-(benzyloxy)phenyl]-5-(3-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-7-[4-(benzyloxy)phenyl]-5-(3-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | 6321-0243 |
| Compound Name: | rel-(5R,7S)-7-[4-(benzyloxy)phenyl]-5-(3-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 412.49 |
| Molecular Formula: | C25 H24 N4 O2 |
| Smiles: | COc1cccc(c1)[C@@H]1C[C@H](c2ccc(cc2)OCc2ccccc2)n2c(N1)ncn2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.7525 |
| logD: | 4.7524 |
| logSw: | -4.8039 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.84 |
| InChI Key: | JVTQXGMXUWWIOA-ZEQRLZLVSA-N |