rel-(5R,7S)-7-(3-chlorophenyl)-5-(3-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Chemical Structure Depiction of
rel-(5R,7S)-7-(3-chlorophenyl)-5-(3-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
rel-(5R,7S)-7-(3-chlorophenyl)-5-(3-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Compound characteristics
| Compound ID: | 6321-0322 |
| Compound Name: | rel-(5R,7S)-7-(3-chlorophenyl)-5-(3-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine |
| Molecular Weight: | 355.83 |
| Molecular Formula: | C18 H18 Cl N5 O |
| Smiles: | COc1cccc(c1)[C@@H]1C[C@H](c2cccc(c2)[Cl])n2c(N1)nc(N)n2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6287 |
| logD: | 3.542 |
| logSw: | -3.9855 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 66.138 |
| InChI Key: | MZELGKBTALBKDW-HOTGVXAUSA-N |