2-chloro-5-{5-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
2-chloro-5-{5-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid
2-chloro-5-{5-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 4588-2058 |
| Compound Name: | 2-chloro-5-{5-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 408.8 |
| Molecular Formula: | C21 H13 Cl N2 O5 |
| Smiles: | C(=C1/C(NN(C1=O)c1ccccc1)=O)/c1ccc(c2ccc(c(c2)C(O)=O)[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 3.7415 |
| logD: | -0.6888 |
| logSw: | -4.0935 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.738 |
| InChI Key: | BWOAQNUVYKZNFJ-UHFFFAOYSA-N |