3-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl thiophene-2-carboxylate
Chemical Structure Depiction of
3-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl thiophene-2-carboxylate
3-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 4338-0851 |
| Compound Name: | 3-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl thiophene-2-carboxylate |
| Molecular Weight: | 390.42 |
| Molecular Formula: | C21 H14 N2 O4 S |
| Smiles: | C(=C1/C(NN(C1=O)c1ccccc1)=O)\c1cccc(c1)OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.279 |
| logD: | 3.2162 |
| logSw: | -3.6086 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.156 |
| InChI Key: | ANOYFQPLVKLBHM-UHFFFAOYSA-N |