4-{[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-ethoxyphenyl thiophene-2-carboxylate
Chemical Structure Depiction of
4-{[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-ethoxyphenyl thiophene-2-carboxylate
4-{[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-ethoxyphenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 5396-0119 |
| Compound Name: | 4-{[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-ethoxyphenyl thiophene-2-carboxylate |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C25 H22 N2 O5 S |
| Smiles: | CCOc1cc(/C=C2/C(NN(C2=O)c2ccc(C)c(C)c2)=O)ccc1OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7873 |
| logD: | 4.5631 |
| logSw: | -4.6727 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.453 |
| InChI Key: | HXMVAOBETLEZFA-UHFFFAOYSA-N |