4-{[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenyl propanoate
Chemical Structure Depiction of
4-{[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenyl propanoate
4-{[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenyl propanoate
Compound characteristics
| Compound ID: | 2237-1602 |
| Compound Name: | 4-{[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenyl propanoate |
| Molecular Weight: | 400.82 |
| Molecular Formula: | C20 H17 Cl N2 O5 |
| Smiles: | CCC(=O)Oc1ccc(/C=C2/C(NN(C2=O)c2cccc(c2)[Cl])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.182 |
| logD: | 2.8336 |
| logSw: | -3.8621 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.531 |
| InChI Key: | CGZUWYRMKGHPNZ-UHFFFAOYSA-N |