4-[3,5-bis(methoxycarbonyl)anilino]-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-[3,5-bis(methoxycarbonyl)anilino]-4-oxobut-2-enoic acid
4-[3,5-bis(methoxycarbonyl)anilino]-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | 2260-0278 |
| Compound Name: | 4-[3,5-bis(methoxycarbonyl)anilino]-4-oxobut-2-enoic acid |
| Molecular Weight: | 307.26 |
| Molecular Formula: | C14 H13 N O7 |
| Smiles: | COC(c1cc(cc(c1)NC(/C=C/C(O)=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0229 |
| logD: | -2.4355 |
| logSw: | -2.4151 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.119 |
| InChI Key: | MQDKTNLPPBONNN-UHFFFAOYSA-N |