4-[(2-ethoxy-3,4-dioxocyclobut-1-en-1-yl)amino]benzonitrile
Chemical Structure Depiction of
4-[(2-ethoxy-3,4-dioxocyclobut-1-en-1-yl)amino]benzonitrile
4-[(2-ethoxy-3,4-dioxocyclobut-1-en-1-yl)amino]benzonitrile
Compound characteristics
| Compound ID: | G317-0132 |
| Compound Name: | 4-[(2-ethoxy-3,4-dioxocyclobut-1-en-1-yl)amino]benzonitrile |
| Molecular Weight: | 242.23 |
| Molecular Formula: | C13 H10 N2 O3 |
| Smiles: | CCOC1=C(C(C1=O)=O)Nc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.717 |
| logD: | 1.4836 |
| logSw: | -2.409 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.664 |
| InChI Key: | UFRUQPGNYQRKLS-UHFFFAOYSA-N |