3-{[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenyl thiophene-2-carboxylate
Chemical Structure Depiction of
3-{[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenyl thiophene-2-carboxylate
3-{[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 4338-0859 |
| Compound Name: | 3-{[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenyl thiophene-2-carboxylate |
| Molecular Weight: | 469.31 |
| Molecular Formula: | C21 H13 Br N2 O4 S |
| Smiles: | C(=C1/C(NN(C1=O)c1ccc(cc1)[Br])=O)\c1cccc(c1)OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2344 |
| logD: | 3.863 |
| logSw: | -4.5621 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.156 |
| InChI Key: | AXQKUDMDHTZCOL-UHFFFAOYSA-N |