4-methoxy-3-nitro-N-(2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-methoxy-3-nitro-N-(2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl)benzene-1-sulfonamide
4-methoxy-3-nitro-N-(2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 6791-0031 |
| Compound Name: | 4-methoxy-3-nitro-N-(2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl)benzene-1-sulfonamide |
| Molecular Weight: | 432.43 |
| Molecular Formula: | C18 H12 N2 O7 S2 |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)S(Nc1cc2c(c3ccccc13)OC(=O)S2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6259 |
| logD: | 3.2841 |
| logSw: | -4.2146 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.386 |
| InChI Key: | NJCSSQDDIYCPQE-UHFFFAOYSA-N |