N-[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(3-nitrophenyl)prop-2-enamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(3-nitrophenyl)prop-2-enamide--hydrogen chloride (1/1)
N-[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(3-nitrophenyl)prop-2-enamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D413-0010 |
| Compound Name: | N-[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(3-nitrophenyl)prop-2-enamide--hydrogen chloride (1/1) |
| Molecular Weight: | 535.39 |
| Molecular Formula: | C26 H19 Cl N6 O3 |
| Salt: | HCl |
| Smiles: | C(=C/c1cccc(c1)[N+]([O-])=O)\C(Nc1nc2NC(=CC(c3ccc(cc3)[Cl])n2n1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2263 |
| logD: | 6.2249 |
| logSw: | -6.5287 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.053 |
| InChI Key: | AIHCKNJVFMRKQY-PZVJUEDKSA-N |