3,3,6,6-tetramethyl-9-[5-(3-methyl-4-nitrophenyl)furan-2-yl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
3,3,6,6-tetramethyl-9-[5-(3-methyl-4-nitrophenyl)furan-2-yl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
3,3,6,6-tetramethyl-9-[5-(3-methyl-4-nitrophenyl)furan-2-yl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 8006-6970 |
| Compound Name: | 3,3,6,6-tetramethyl-9-[5-(3-methyl-4-nitrophenyl)furan-2-yl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 475.54 |
| Molecular Formula: | C28 H29 N O6 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)c1ccc(C2C3=C(CC(C)(C)CC3=O)OC3CC(C)(C)CC(C2=3)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.6879 |
| logD: | 5.6879 |
| logSw: | -5.4213 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.877 |
| InChI Key: | ZQFVYCJJKKLWKW-UHFFFAOYSA-N |