N-(4-{2-[3-amino-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}-2,5-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
N-(4-{2-[3-amino-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}-2,5-dimethoxyphenyl)acetamide
N-(4-{2-[3-amino-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}-2,5-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | Y508-2049 |
| Compound Name: | N-(4-{2-[3-amino-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}-2,5-dimethoxyphenyl)acetamide |
| Molecular Weight: | 499.74 |
| Molecular Formula: | C19 H17 Cl3 N6 O4 |
| Smiles: | CC(Nc1cc(c(cc1OC)N/N=C1\C(N)=NN(C1=O)c1c(cc(cc1[Cl])[Cl])[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4927 |
| logD: | 3.4916 |
| logSw: | -3.8875 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 104.19 |
| InChI Key: | VHFYQIYVGCCSJX-UHFFFAOYSA-N |