methyl 3-(5-{[1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
Chemical Structure Depiction of
methyl 3-(5-{[1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
methyl 3-(5-{[1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
Compound characteristics
| Compound ID: | 4357-3102 |
| Compound Name: | methyl 3-(5-{[1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate |
| Molecular Weight: | 457.27 |
| Molecular Formula: | C22 H14 Cl2 N2 O5 |
| Smiles: | COC(c1cccc(c1)c1ccc(\C=C2/C(NN(C2=O)c2ccc(c(c2)[Cl])[Cl])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9611 |
| logD: | 3.854 |
| logSw: | -5.1993 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.504 |
| InChI Key: | GVISBBDMUJJWKI-UHFFFAOYSA-N |