3-(3-methoxyanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3-methoxyanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
3-(3-methoxyanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E959-0864 |
| Compound Name: | 3-(3-methoxyanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 333.39 |
| Molecular Formula: | C21 H19 N O3 |
| Smiles: | COc1cccc(c1)NC1=C(C(C1=O)=O)c1ccc2CCCCc2c1 |
| Stereo: | ACHIRAL |
| logP: | 4.6017 |
| logD: | 4.6012 |
| logSw: | -4.465 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.359 |
| InChI Key: | YODUWTIZQQFJIT-UHFFFAOYSA-N |