9-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
Chemical Structure Depiction of
9-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
9-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
Compound characteristics
| Compound ID: | 4984-5536 |
| Compound Name: | 9-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione |
| Molecular Weight: | 418.29 |
| Molecular Formula: | C20 H20 Br N O4 |
| Smiles: | COc1cc(cc(c1O)[Br])C1C2=C(CCCC2=O)NC2CCCC(C1=2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8343 |
| logD: | -0.8289 |
| logSw: | -3.1795 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.598 |
| InChI Key: | DTOYKEYWMGUAQJ-UHFFFAOYSA-N |