3-(3,4-dimethoxyanilino)-4-hydroxycyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3,4-dimethoxyanilino)-4-hydroxycyclobut-3-ene-1,2-dione
3-(3,4-dimethoxyanilino)-4-hydroxycyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | G317-0408 |
| Compound Name: | 3-(3,4-dimethoxyanilino)-4-hydroxycyclobut-3-ene-1,2-dione |
| Molecular Weight: | 249.22 |
| Molecular Formula: | C12 H11 N O5 |
| Smiles: | COc1ccc(cc1OC)NC1=C(C(C1=O)=O)O |
| Stereo: | ACHIRAL |
| logP: | 0.4695 |
| logD: | -4.3532 |
| logSw: | -1.988 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.498 |
| InChI Key: | HIMQTKJGSQAFMW-UHFFFAOYSA-N |