[2-methoxy-4-({1-[4-(methoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene}methyl)phenoxy]acetic acid
Chemical Structure Depiction of
[2-methoxy-4-({1-[4-(methoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene}methyl)phenoxy]acetic acid
[2-methoxy-4-({1-[4-(methoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene}methyl)phenoxy]acetic acid
Compound characteristics
| Compound ID: | 3871-0118 |
| Compound Name: | [2-methoxy-4-({1-[4-(methoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene}methyl)phenoxy]acetic acid |
| Molecular Weight: | 426.38 |
| Molecular Formula: | C21 H18 N2 O8 |
| Smiles: | COC(c1ccc(cc1)N1C(C(=C/c2ccc(c(c2)OC)OCC(O)=O)\C(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5663 |
| logD: | -2.6707 |
| logSw: | -2.0025 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.534 |
| InChI Key: | JCBDXPZTTDQDGK-UHFFFAOYSA-N |