4-{[(2H-1,3-benzodioxol-5-yl)methyl][1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino}-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-{[(2H-1,3-benzodioxol-5-yl)methyl][1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino}-4-oxobut-2-enoic acid
4-{[(2H-1,3-benzodioxol-5-yl)methyl][1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino}-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | 8009-3489 |
| Compound Name: | 4-{[(2H-1,3-benzodioxol-5-yl)methyl][1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino}-4-oxobut-2-enoic acid |
| Molecular Weight: | 440.38 |
| Molecular Formula: | C22 H17 F N2 O7 |
| Smiles: | C1C(C(N(C1=O)c1ccc(cc1)F)=O)N(Cc1ccc2c(c1)OCO2)C(/C=C/C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1312 |
| logD: | -2.7131 |
| logSw: | -2.0334 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.13 |
| InChI Key: | IDMQRVXGXLPBMG-MRXNPFEDSA-N |