3,3,6,6-tetramethyl-9-(6-nitro-2H-1,3-benzodioxol-5-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
3,3,6,6-tetramethyl-9-(6-nitro-2H-1,3-benzodioxol-5-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
3,3,6,6-tetramethyl-9-(6-nitro-2H-1,3-benzodioxol-5-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 8007-8039 |
| Compound Name: | 3,3,6,6-tetramethyl-9-(6-nitro-2H-1,3-benzodioxol-5-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 439.46 |
| Molecular Formula: | C24 H25 N O7 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2cc3c(cc2[N+]([O-])=O)OCO3)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9452 |
| logD: | 3.9452 |
| logSw: | -4.31 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.593 |
| InChI Key: | WKXQBLKYHRQVSS-UHFFFAOYSA-N |