3,3,6,6,10-pentamethyl-9-{3-[(prop-2-yn-1-yl)oxy]phenyl}-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
Chemical Structure Depiction of
3,3,6,6,10-pentamethyl-9-{3-[(prop-2-yn-1-yl)oxy]phenyl}-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
3,3,6,6,10-pentamethyl-9-{3-[(prop-2-yn-1-yl)oxy]phenyl}-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
Compound characteristics
| Compound ID: | 4984-0096 |
| Compound Name: | 3,3,6,6,10-pentamethyl-9-{3-[(prop-2-yn-1-yl)oxy]phenyl}-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione |
| Molecular Weight: | 417.55 |
| Molecular Formula: | C27 H31 N O3 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)N2C)c2cccc(c2)OCC#C)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9543 |
| logD: | 3.9543 |
| logSw: | -4.1656 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.169 |
| InChI Key: | RTOTWYQAYGHAQF-UHFFFAOYSA-N |