N-(8-tert-butyl-7,8,9,10-tetrahydrobenzo[b]naphtho[2,1-d]furan-5-yl)-2-methyl-5-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-(8-tert-butyl-7,8,9,10-tetrahydrobenzo[b]naphtho[2,1-d]furan-5-yl)-2-methyl-5-nitrobenzene-1-sulfonamide
N-(8-tert-butyl-7,8,9,10-tetrahydrobenzo[b]naphtho[2,1-d]furan-5-yl)-2-methyl-5-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 5591-3717 |
| Compound Name: | N-(8-tert-butyl-7,8,9,10-tetrahydrobenzo[b]naphtho[2,1-d]furan-5-yl)-2-methyl-5-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 492.59 |
| Molecular Formula: | C27 H28 N2 O5 S |
| Smiles: | Cc1ccc(cc1S(Nc1cc2c3CC(CCc3oc2c2ccccc12)C(C)(C)C)(=O)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.24 |
| logD: | 6.631 |
| logSw: | -5.9744 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.649 |
| InChI Key: | OCQHQCBXNJJLBJ-QGZVFWFLSA-N |