[9-{3-bromo-5-methoxy-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-bromo-5-methoxy-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-bromo-5-methoxy-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: | 4103-0091 |
| Compound Name: | [9-{3-bromo-5-methoxy-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: | 570.48 |
| Molecular Formula: | C29 H32 Br N O6 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)N2CC(O)=O)c2cc(c(c(c2)[Br])OCC#C)OC)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3308 |
| logD: | 0.028 |
| logSw: | -3.3502 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.591 |
| InChI Key: | GZDRRJMAOIAEDB-UHFFFAOYSA-N |