N-[5-(4-chlorophenyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(3-nitrophenyl)prop-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-(3-nitrophenyl)prop-2-enamide
N-[5-(4-chlorophenyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(3-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | D413-0345 |
| Compound Name: | N-[5-(4-chlorophenyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(3-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 498.93 |
| Molecular Formula: | C26 H19 Cl N6 O3 |
| Smiles: | C(=C/c1cccc(c1)[N+]([O-])=O)\C(Nc1nc2NC(=CC(c3ccccc3)n2n1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3356 |
| logD: | 6.3238 |
| logSw: | -6.5161 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.053 |
| InChI Key: | FVSLAVOEKJYXJB-HSZRJFAPSA-N |