3-(2,5-dimethoxyanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(2,5-dimethoxyanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
3-(2,5-dimethoxyanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E959-0937 |
| Compound Name: | 3-(2,5-dimethoxyanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 363.41 |
| Molecular Formula: | C22 H21 N O4 |
| Smiles: | COc1ccc(c(c1)NC1=C(C(C1=O)=O)c1ccc2CCCCc2c1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5421 |
| logD: | 4.5276 |
| logSw: | -4.4423 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.291 |
| InChI Key: | PVGQCRMYDHIXEH-UHFFFAOYSA-N |