3-(5-chloro-2-methylanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(5-chloro-2-methylanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
3-(5-chloro-2-methylanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E959-0875 |
| Compound Name: | 3-(5-chloro-2-methylanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 351.83 |
| Molecular Formula: | C21 H18 Cl N O2 |
| Smiles: | Cc1ccc(cc1NC1=C(C(C1=O)=O)c1ccc2CCCCc2c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3158 |
| logD: | 5.3086 |
| logSw: | -5.8388 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.117 |
| InChI Key: | ZSSZRKPRGUEAQP-UHFFFAOYSA-N |