3-(azepan-1-yl)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(azepan-1-yl)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
3-(azepan-1-yl)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0059 |
| Compound Name: | 3-(azepan-1-yl)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 289.76 |
| Molecular Formula: | C16 H16 Cl N O2 |
| Smiles: | C1CCCN(CC1)C1=C(C(C1=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0597 |
| logD: | 4.0597 |
| logSw: | -4.4611 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.4846 |
| InChI Key: | LLEUMIRTDKJTJP-UHFFFAOYSA-N |