3-{[3-ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid
Chemical Structure Depiction of
3-{[3-ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid
3-{[3-ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid
Compound characteristics
| Compound ID: | 3130-1647 |
| Compound Name: | 3-{[3-ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid |
| Molecular Weight: | 307.3 |
| Molecular Formula: | C15 H17 N O6 |
| Smiles: | CCOC(C(=CNc1cccc(c1)C(O)=O)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7784 |
| logD: | -0.1074 |
| logSw: | -3.0099 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.755 |
| InChI Key: | KCQSREWIHRNYIM-UHFFFAOYSA-N |