3-{[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenyl thiophene-2-carboxylate
Chemical Structure Depiction of
3-{[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenyl thiophene-2-carboxylate
3-{[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 4338-0854 |
| Compound Name: | 3-{[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenyl thiophene-2-carboxylate |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C23 H18 N2 O4 S |
| Smiles: | Cc1ccc(cc1C)N1C(C(=C/c2cccc(c2)OC(c2cccs2)=O)\C(N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5689 |
| logD: | 4.3447 |
| logSw: | -4.5516 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.156 |
| InChI Key: | VTQURKNYPLCNAI-UHFFFAOYSA-N |