3-ethoxy-4-(3-methoxyanilino)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-ethoxy-4-(3-methoxyanilino)cyclobut-3-ene-1,2-dione
3-ethoxy-4-(3-methoxyanilino)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | G317-0025 |
| Compound Name: | 3-ethoxy-4-(3-methoxyanilino)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 247.25 |
| Molecular Formula: | C13 H13 N O4 |
| Smiles: | CCOC1=C(C(C1=O)=O)Nc1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.129 |
| logD: | 2.1122 |
| logSw: | -2.9756 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.151 |
| InChI Key: | MRGCIHCREAPDEL-UHFFFAOYSA-N |