4-{[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl thiophene-2-carboxylate
Chemical Structure Depiction of
4-{[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl thiophene-2-carboxylate
4-{[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8016-9254 |
| Compound Name: | 4-{[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl thiophene-2-carboxylate |
| Molecular Weight: | 457.33 |
| Molecular Formula: | C22 H14 Cl2 N2 O3 S |
| Smiles: | CC1/C(=C\c2ccc(cc2)OC(c2cccs2)=O)C(N(c2ccc(c(c2)[Cl])[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9823 |
| logD: | 5.9823 |
| logSw: | -6.3223 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.983 |
| InChI Key: | GRYIGAVGJLMOMY-UHFFFAOYSA-N |