N-(5,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-(3-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-(5,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-(3-nitrophenyl)prop-2-enamide
N-(5,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-(3-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | D413-0328 |
| Compound Name: | N-(5,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-(3-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 464.48 |
| Molecular Formula: | C26 H20 N6 O3 |
| Smiles: | C(=C/c1cccc(c1)[N+]([O-])=O)\C(Nc1nc2NC(=CC(c3ccccc3)n2n1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6358 |
| logD: | 5.6344 |
| logSw: | -5.9237 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.053 |
| InChI Key: | PBIORJXJEQIECQ-QHCPKHFHSA-N |