rel-(5R,7S)-5-(3,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Chemical Structure Depiction of
rel-(5R,7S)-5-(3,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
rel-(5R,7S)-5-(3,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Compound characteristics
| Compound ID: | 6321-0500 |
| Compound Name: | rel-(5R,7S)-5-(3,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine |
| Molecular Weight: | 420.3 |
| Molecular Formula: | C19 H19 Cl2 N5 O2 |
| Smiles: | COc1ccc(cc1OC)[C@H]1C[C@@H](c2ccc(c(c2)[Cl])[Cl])Nc2nc(N)nn12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.1355 |
| logD: | 4.0487 |
| logSw: | -4.4864 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.855 |
| InChI Key: | AZOHHCFABHHULM-HUUCEWRRSA-N |