[9-{3-chloro-5-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl]acetic acid
Chemical Structure Depiction of
[9-{3-chloro-5-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl]acetic acid
[9-{3-chloro-5-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl]acetic acid
Compound characteristics
| Compound ID: | 4103-0151 |
| Compound Name: | [9-{3-chloro-5-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl]acetic acid |
| Molecular Weight: | 540.06 |
| Molecular Formula: | C30 H34 Cl N O6 |
| Smiles: | CCOc1cc(cc(c1OCC#C)[Cl])C1C2=C(CC(C)(C)CC2=O)N(CC(O)=O)C2CC(C)(C)CC(C1=2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.708 |
| logD: | 0.4052 |
| logSw: | -3.8499 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.171 |
| InChI Key: | SISNLBOCKRWRIW-UHFFFAOYSA-N |