3-(4-chlorophenyl)-4-{[(3,4,5-triethoxyphenyl)methyl]amino}cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-4-{[(3,4,5-triethoxyphenyl)methyl]amino}cyclobut-3-ene-1,2-dione
3-(4-chlorophenyl)-4-{[(3,4,5-triethoxyphenyl)methyl]amino}cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0189 |
| Compound Name: | 3-(4-chlorophenyl)-4-{[(3,4,5-triethoxyphenyl)methyl]amino}cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 429.9 |
| Molecular Formula: | C23 H24 Cl N O5 |
| Smiles: | CCOc1cc(CNC2=C(C(C2=O)=O)c2ccc(cc2)[Cl])cc(c1OCC)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.0817 |
| logD: | 4.0817 |
| logSw: | -4.4247 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.934 |
| InChI Key: | FYKOCQFYTOUBLK-UHFFFAOYSA-N |