N-[5-(4-chlorophenyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-phenylprop-2-enamide
Chemical Structure Depiction of
N-[5-(4-chlorophenyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-phenylprop-2-enamide
N-[5-(4-chlorophenyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-phenylprop-2-enamide
Compound characteristics
| Compound ID: | D413-0341 |
| Compound Name: | N-[5-(4-chlorophenyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-phenylprop-2-enamide |
| Molecular Weight: | 453.93 |
| Molecular Formula: | C26 H20 Cl N5 O |
| Smiles: | C(=C/c1ccccc1)\C(Nc1nc2NC(=CC(c3ccccc3)n2n1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4242 |
| logD: | 6.4123 |
| logSw: | -6.5204 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.671 |
| InChI Key: | NYMSLWJCSHICDW-HSZRJFAPSA-N |