3-{[(4-ethoxyphenyl)methyl]amino}-4-hydroxycyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-{[(4-ethoxyphenyl)methyl]amino}-4-hydroxycyclobut-3-ene-1,2-dione
3-{[(4-ethoxyphenyl)methyl]amino}-4-hydroxycyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | G317-0695 |
| Compound Name: | 3-{[(4-ethoxyphenyl)methyl]amino}-4-hydroxycyclobut-3-ene-1,2-dione |
| Molecular Weight: | 247.25 |
| Molecular Formula: | C13 H13 N O4 |
| Smiles: | CCOc1ccc(CNC2=C(C(C2=O)=O)O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 0.8673 |
| logD: | -3.9433 |
| logSw: | -2.057 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.683 |
| InChI Key: | NSIAOZFPJQSTKV-UHFFFAOYSA-N |