3-{[(2,5-dimethoxyphenyl)methyl]amino}-4-hydroxycyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-{[(2,5-dimethoxyphenyl)methyl]amino}-4-hydroxycyclobut-3-ene-1,2-dione
3-{[(2,5-dimethoxyphenyl)methyl]amino}-4-hydroxycyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | G317-0694 |
| Compound Name: | 3-{[(2,5-dimethoxyphenyl)methyl]amino}-4-hydroxycyclobut-3-ene-1,2-dione |
| Molecular Weight: | 263.25 |
| Molecular Formula: | C13 H13 N O5 |
| Smiles: | COc1ccc(c(CNC2=C(C(C2=O)=O)O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 0.6985 |
| logD: | -4.1122 |
| logSw: | -2.0391 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.733 |
| InChI Key: | LXRZZGDKCJGKDI-UHFFFAOYSA-N |