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 |