3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4-(3,4,5-trimethoxyanilino)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4-(3,4,5-trimethoxyanilino)cyclobut-3-ene-1,2-dione
3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4-(3,4,5-trimethoxyanilino)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E959-0927 |
| Compound Name: | 3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4-(3,4,5-trimethoxyanilino)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C23 H23 N O5 |
| Smiles: | COc1cc(cc(c1OC)OC)NC1=C(C(C1=O)=O)c1ccc2CCCCc2c1 |
| Stereo: | ACHIRAL |
| logP: | 3.9158 |
| logD: | 3.9054 |
| logSw: | -4.0268 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.793 |
| InChI Key: | KSMSBIPCRCIJCY-UHFFFAOYSA-N |