(2E,4E)-2,3-dichloro-4-{2-[5-(4-fluorophenyl)-7-(pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]hydrazinylidene}but-2-enoic acid
Chemical Structure Depiction of
(2E,4E)-2,3-dichloro-4-{2-[5-(4-fluorophenyl)-7-(pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]hydrazinylidene}but-2-enoic acid
(2E,4E)-2,3-dichloro-4-{2-[5-(4-fluorophenyl)-7-(pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]hydrazinylidene}but-2-enoic acid
Compound characteristics
| Compound ID: | Y509-0081 |
| Compound Name: | (2E,4E)-2,3-dichloro-4-{2-[5-(4-fluorophenyl)-7-(pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]hydrazinylidene}but-2-enoic acid |
| Molecular Weight: | 544.24 |
| Molecular Formula: | C19 H13 Cl2 F6 N5 O3 |
| Smiles: | C1C(c2ccc(cc2)F)Nc2cc(C(N/N=C/C(=C(/C(O)=O)[Cl])[Cl])=O)nn2C1C(C(F)(F)F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.6707 |
| logD: | -0.8907 |
| logSw: | -4.765 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.762 |
| InChI Key: | CHUMCKDQVNEPHZ-UHFFFAOYSA-N |