9-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
9-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 8007-8101 |
| Compound Name: | 9-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 495.96 |
| Molecular Formula: | C27 H26 Cl N O6 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccc(c3ccc(cc3[Cl])[N+]([O-])=O)o2)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.747 |
| logD: | 5.747 |
| logSw: | -6.0284 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.178 |
| InChI Key: | DWZLOWIXAZUOMU-UHFFFAOYSA-N |