3-(azepan-1-yl)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(azepan-1-yl)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
3-(azepan-1-yl)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E511-0798 |
| Compound Name: | 3-(azepan-1-yl)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 297.4 |
| Molecular Formula: | C19 H23 N O2 |
| Smiles: | CC(C)c1ccc(cc1)C1=C(C(C1=O)=O)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.8032 |
| logD: | 4.8032 |
| logSw: | -4.4426 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.4846 |
| InChI Key: | ZZQDFPAQEOOWND-UHFFFAOYSA-N |