3-(azepan-1-yl)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(azepan-1-yl)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione
3-(azepan-1-yl)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0603 |
| Compound Name: | 3-(azepan-1-yl)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 283.37 |
| Molecular Formula: | C18 H21 N O2 |
| Smiles: | Cc1ccc(cc1C)C1=C(C(C1=O)=O)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.4302 |
| logD: | 4.4302 |
| logSw: | -4.2205 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.4846 |
| InChI Key: | WFYDARNBROIZHG-UHFFFAOYSA-N |