3-(4-chlorophenyl)-4-[(2,3-dimethylcyclohexyl)amino]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-4-[(2,3-dimethylcyclohexyl)amino]cyclobut-3-ene-1,2-dione
3-(4-chlorophenyl)-4-[(2,3-dimethylcyclohexyl)amino]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0134 |
| Compound Name: | 3-(4-chlorophenyl)-4-[(2,3-dimethylcyclohexyl)amino]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 317.81 |
| Molecular Formula: | C18 H20 Cl N O2 |
| Smiles: | CC1CCCC(C1C)NC1=C(C(C1=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9853 |
| logD: | 3.9853 |
| logSw: | -4.409 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.332 |
| InChI Key: | DEZRHHGFDGWKGE-UHFFFAOYSA-N |