N-(7,7-dimethyl-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-4-methyl-3-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-(7,7-dimethyl-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-4-methyl-3-nitrobenzene-1-sulfonamide
N-(7,7-dimethyl-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-4-methyl-3-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 5591-3682 |
| Compound Name: | N-(7,7-dimethyl-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-4-methyl-3-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 428.46 |
| Molecular Formula: | C21 H20 N2 O6 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)S(Nc1ccc2c(c1)c1C(CC(C)(C)Cc1o2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5428 |
| logD: | 3.9724 |
| logSw: | -4.6135 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.332 |
| InChI Key: | LWNMRAKARAFWFQ-UHFFFAOYSA-N |