3-hydroxy-4-{[(3-methoxyphenyl)methyl]amino}cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-hydroxy-4-{[(3-methoxyphenyl)methyl]amino}cyclobut-3-ene-1,2-dione
3-hydroxy-4-{[(3-methoxyphenyl)methyl]amino}cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | G317-0542 |
| Compound Name: | 3-hydroxy-4-{[(3-methoxyphenyl)methyl]amino}cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 233.22 |
| Molecular Formula: | C12 H11 N O4 |
| Smiles: | COc1cccc(CNC2=C(C(C2=O)=O)O)c1 |
| Stereo: | ACHIRAL |
| logP: | 0.5957 |
| logD: | -4.215 |
| logSw: | -1.8456 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.103 |
| InChI Key: | ZCVOWYKZDPEGIH-UHFFFAOYSA-N |