methyl 2-methyl-5-[N-(naphthalene-2-sulfonyl)-3-nitrobenzamido]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
methyl 2-methyl-5-[N-(naphthalene-2-sulfonyl)-3-nitrobenzamido]-1-benzofuran-3-carboxylate
methyl 2-methyl-5-[N-(naphthalene-2-sulfonyl)-3-nitrobenzamido]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 2318-0196 |
| Compound Name: | methyl 2-methyl-5-[N-(naphthalene-2-sulfonyl)-3-nitrobenzamido]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 544.54 |
| Molecular Formula: | C28 H20 N2 O8 S |
| Smiles: | Cc1c(C(=O)OC)c2cc(ccc2o1)N(C(c1cccc(c1)[N+]([O-])=O)=O)S(c1ccc2ccccc2c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4552 |
| logD: | 5.4552 |
| logSw: | -6.5671 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 107.777 |
| InChI Key: | RLHSUMITUJEIIS-UHFFFAOYSA-N |