3-(4-fluoro-2-methylanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(4-fluoro-2-methylanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
3-(4-fluoro-2-methylanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E959-0997 |
| Compound Name: | 3-(4-fluoro-2-methylanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 335.38 |
| Molecular Formula: | C21 H18 F N O2 |
| Smiles: | Cc1cc(ccc1NC1=C(C(C1=O)=O)c1ccc2CCCCc2c1)F |
| Stereo: | ACHIRAL |
| logP: | 4.8776 |
| logD: | 4.8716 |
| logSw: | -4.6013 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.117 |
| InChI Key: | RBKHHDBWDXKUDZ-UHFFFAOYSA-N |