ethyl 4-cyano-3-methyl-5-({[3-methyl-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)thiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 4-cyano-3-methyl-5-({[3-methyl-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)thiophene-2-carboxylate
ethyl 4-cyano-3-methyl-5-({[3-methyl-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y508-2845 |
| Compound Name: | ethyl 4-cyano-3-methyl-5-({[3-methyl-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)thiophene-2-carboxylate |
| Molecular Weight: | 497.79 |
| Molecular Formula: | C20 H15 Cl3 N4 O3 S |
| Smiles: | CCOC(c1c(C)c(C#N)c(N/C=C2/C(C)=NN(C2=O)c2c(cc(cc2[Cl])[Cl])[Cl])s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1403 |
| logD: | 3.512 |
| logSw: | -5.8143 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.19 |
| InChI Key: | OBUVAUZGBYJATF-UHFFFAOYSA-N |