9-[4-(dimethylamino)-3-nitrophenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
9-[4-(dimethylamino)-3-nitrophenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-[4-(dimethylamino)-3-nitrophenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 8007-8109 |
| Compound Name: | 9-[4-(dimethylamino)-3-nitrophenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 438.52 |
| Molecular Formula: | C25 H30 N2 O5 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccc(c(c2)[N+]([O-])=O)N(C)C)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1138 |
| logD: | 4.1138 |
| logSw: | -4.5326 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.982 |
| InChI Key: | LGRSYDUNFLNQCE-UHFFFAOYSA-N |