3-{[(2-chlorophenyl)methyl]amino}-4-{[(3,4-dimethoxyphenyl)methyl]amino}cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-{[(2-chlorophenyl)methyl]amino}-4-{[(3,4-dimethoxyphenyl)methyl]amino}cyclobut-3-ene-1,2-dione
3-{[(2-chlorophenyl)methyl]amino}-4-{[(3,4-dimethoxyphenyl)methyl]amino}cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | IB07-1713 |
| Compound Name: | 3-{[(2-chlorophenyl)methyl]amino}-4-{[(3,4-dimethoxyphenyl)methyl]amino}cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 386.83 |
| Molecular Formula: | C20 H19 Cl N2 O4 |
| Smiles: | COc1ccc(CNC2=C(C(C2=O)=O)NCc2ccccc2[Cl])cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.39 |
| logD: | 2.39 |
| logSw: | -3.4 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.92 |
| InChI Key: | LLBIDFJSXYVZDV-UHFFFAOYSA-N |