3-(azepan-1-yl)-4-chloro-1-(3-chloro-4-methylphenyl)-1H-pyrrole-2,5-dione
Chemical Structure Depiction of
3-(azepan-1-yl)-4-chloro-1-(3-chloro-4-methylphenyl)-1H-pyrrole-2,5-dione
3-(azepan-1-yl)-4-chloro-1-(3-chloro-4-methylphenyl)-1H-pyrrole-2,5-dione
Compound characteristics
| Compound ID: | 3643-2014 |
| Compound Name: | 3-(azepan-1-yl)-4-chloro-1-(3-chloro-4-methylphenyl)-1H-pyrrole-2,5-dione |
| Molecular Weight: | 353.25 |
| Molecular Formula: | C17 H18 Cl2 N2 O2 |
| Smiles: | Cc1ccc(cc1[Cl])N1C(C(=C(C1=O)[Cl])N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4174 |
| logD: | 4.417 |
| logSw: | -4.4856 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.853 |
| InChI Key: | AWYZTKJSHRITOB-UHFFFAOYSA-N |