N-(9,9-dimethyl-7-oxo-7,8,9,10-tetrahydrobenzo[b]naphtho[2,1-d]furan-5-yl)-4-methyl-3-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-(9,9-dimethyl-7-oxo-7,8,9,10-tetrahydrobenzo[b]naphtho[2,1-d]furan-5-yl)-4-methyl-3-nitrobenzene-1-sulfonamide
N-(9,9-dimethyl-7-oxo-7,8,9,10-tetrahydrobenzo[b]naphtho[2,1-d]furan-5-yl)-4-methyl-3-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 5591-3685 |
| Compound Name: | N-(9,9-dimethyl-7-oxo-7,8,9,10-tetrahydrobenzo[b]naphtho[2,1-d]furan-5-yl)-4-methyl-3-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 478.52 |
| Molecular Formula: | C25 H22 N2 O6 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)S(Nc1cc2c3C(CC(C)(C)Cc3oc2c2ccccc12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4251 |
| logD: | 5.2121 |
| logSw: | -5.6828 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.596 |
| InChI Key: | WKKKGJUCLKKDOW-UHFFFAOYSA-N |