N-[rel-(5R,7S)-5-(4-chlorophenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide
Chemical Structure Depiction of
N-[rel-(5R,7S)-5-(4-chlorophenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide
N-[rel-(5R,7S)-5-(4-chlorophenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide
Compound characteristics
| Compound ID: | D043-0318 |
| Compound Name: | N-[rel-(5R,7S)-5-(4-chlorophenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide |
| Molecular Weight: | 381.86 |
| Molecular Formula: | C20 H20 Cl N5 O |
| Smiles: | CCC(Nc1nc2N[C@@H](C[C@H](c3ccccc3)n2n1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.1829 |
| logD: | 4.1827 |
| logSw: | -4.6996 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.411 |
| InChI Key: | OZCVBKHINLTWGK-IAGOWNOFSA-N |