4-{[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenyl propanoate
Chemical Structure Depiction of
4-{[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenyl propanoate
4-{[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenyl propanoate
Compound characteristics
| Compound ID: | 2237-1601 |
| Compound Name: | 4-{[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenyl propanoate |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C22 H22 N2 O5 |
| Smiles: | CCC(=O)Oc1ccc(/C=C2/C(NN(C2=O)c2ccc(C)c(C)c2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.675 |
| logD: | 3.4508 |
| logSw: | -3.9527 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.531 |
| InChI Key: | KYWPSPXUUFKAAJ-UHFFFAOYSA-N |