methyl 2-chloro-5-(5-{[1-(4-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
Chemical Structure Depiction of
methyl 2-chloro-5-(5-{[1-(4-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
methyl 2-chloro-5-(5-{[1-(4-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
Compound characteristics
| Compound ID: | 2082-0116 |
| Compound Name: | methyl 2-chloro-5-(5-{[1-(4-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate |
| Molecular Weight: | 457.27 |
| Molecular Formula: | C22 H14 Cl2 N2 O5 |
| Smiles: | COC(c1cc(ccc1[Cl])c1ccc(/C=C2/C(NN(C2=O)c2ccc(cc2)[Cl])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8026 |
| logD: | 4.4064 |
| logSw: | -4.9395 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.504 |
| InChI Key: | VLLJADUTEVNBEK-UHFFFAOYSA-N |