9-{5-chloro-2-[(prop-2-yn-1-yl)oxy]phenyl}-3,3,6,6,10-pentamethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
Chemical Structure Depiction of
9-{5-chloro-2-[(prop-2-yn-1-yl)oxy]phenyl}-3,3,6,6,10-pentamethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
9-{5-chloro-2-[(prop-2-yn-1-yl)oxy]phenyl}-3,3,6,6,10-pentamethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
Compound characteristics
| Compound ID: | 4984-0057 |
| Compound Name: | 9-{5-chloro-2-[(prop-2-yn-1-yl)oxy]phenyl}-3,3,6,6,10-pentamethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione |
| Molecular Weight: | 451.99 |
| Molecular Formula: | C27 H30 Cl N O3 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)N2C)c2cc(ccc2OCC#C)[Cl])C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0718 |
| logD: | 5.0718 |
| logSw: | -5.2014 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.256 |
| InChI Key: | RDGHAODGSQACDM-UHFFFAOYSA-N |