3-(5-chloro-2,4-dimethoxyanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(5-chloro-2,4-dimethoxyanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
3-(5-chloro-2,4-dimethoxyanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E959-0873 |
| Compound Name: | 3-(5-chloro-2,4-dimethoxyanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 397.86 |
| Molecular Formula: | C22 H20 Cl N O4 |
| Smiles: | COc1cc(c(cc1NC1=C(C(C1=O)=O)c1ccc2CCCCc2c1)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 5.1575 |
| logD: | 4.9624 |
| logSw: | -5.7122 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.378 |
| InChI Key: | LUBALUZXKANSCZ-UHFFFAOYSA-N |