3-({1-[4-(ethoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene}methyl)phenyl thiophene-2-carboxylate
Chemical Structure Depiction of
3-({1-[4-(ethoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene}methyl)phenyl thiophene-2-carboxylate
3-({1-[4-(ethoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene}methyl)phenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 4331-0386 |
| Compound Name: | 3-({1-[4-(ethoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene}methyl)phenyl thiophene-2-carboxylate |
| Molecular Weight: | 462.48 |
| Molecular Formula: | C24 H18 N2 O6 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(=C/c2cccc(c2)OC(c2cccs2)=O)\C(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0019 |
| logD: | 3.9187 |
| logSw: | -4.1762 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.91 |
| InChI Key: | SWAFQXJUTFNVOU-UHFFFAOYSA-N |