3-(3,4-dimethoxyanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3,4-dimethoxyanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
3-(3,4-dimethoxyanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
Compound ID: | E959-0847 |
Compound Name: | 3-(3,4-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(cc1OC)NC1=C(C(C1=O)=O)c1ccc2CCCCc2c1 |
Stereo: | ACHIRAL |
logP: | 4.0701 |
logD: | 4.069 |
logSw: | -4.2522 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.076 |
InChI Key: | JBIZEFUAFYQPIL-UHFFFAOYSA-N |