4-(5-{[1-(4-ethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
4-(5-{[1-(4-ethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
4-(5-{[1-(4-ethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 4169-2494 |
| Compound Name: | 4-(5-{[1-(4-ethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 402.41 |
| Molecular Formula: | C23 H18 N2 O5 |
| Smiles: | CCc1ccc(cc1)N1C(C(=C/c2ccc(c3ccc(cc3)C(O)=O)o2)\C(N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4287 |
| logD: | 0.701 |
| logSw: | -4.1818 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.738 |
| InChI Key: | IMTWOUPRWIFYHX-UHFFFAOYSA-N |