N-[8-(2-methylbutan-2-yl)-5a,6,7,8,9,9a-hexahydrodibenzo[b,d]furan-2-yl]-3-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-[8-(2-methylbutan-2-yl)-5a,6,7,8,9,9a-hexahydrodibenzo[b,d]furan-2-yl]-3-nitrobenzene-1-sulfonamide
N-[8-(2-methylbutan-2-yl)-5a,6,7,8,9,9a-hexahydrodibenzo[b,d]furan-2-yl]-3-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 5591-3623 |
| Compound Name: | N-[8-(2-methylbutan-2-yl)-5a,6,7,8,9,9a-hexahydrodibenzo[b,d]furan-2-yl]-3-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C23 H28 N2 O5 S |
| Smiles: | CCC(C)(C)C1CCC2C(C1)c1cc(ccc1O2)NS(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6862 |
| logD: | 5.4133 |
| logSw: | -5.5091 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.949 |
| InChI Key: | KLOIUKFRCWQAQR-UHFFFAOYSA-N |