3-{[2-(3,4-diethoxyphenyl)ethyl]amino}-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-{[2-(3,4-diethoxyphenyl)ethyl]amino}-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
3-{[2-(3,4-diethoxyphenyl)ethyl]amino}-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E511-0941 |
| Compound Name: | 3-{[2-(3,4-diethoxyphenyl)ethyl]amino}-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C25 H29 N O4 |
| Smiles: | CCOc1ccc(CCNC2=C(C(C2=O)=O)c2ccc(cc2)C(C)C)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.1982 |
| logD: | 4.1982 |
| logSw: | -4.1889 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.479 |
| InChI Key: | AFHYTEHOKWPWJZ-UHFFFAOYSA-N |