9-[5-(2-methoxy-5-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-methoxy-5-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-methoxy-5-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: | 8007-7192 |
| Compound Name: | 9-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 491.54 |
| Molecular Formula: | C28 H29 N O7 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccc(c3cc(ccc3OC)[N+]([O-])=O)o2)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9946 |
| logD: | 4.9946 |
| logSw: | -4.8627 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.809 |
| InChI Key: | SIBDKHKVEUIDAI-UHFFFAOYSA-N |