methyl 5-[acetyl(2-methyl-5-nitrobenzene-1-sulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
methyl 5-[acetyl(2-methyl-5-nitrobenzene-1-sulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate
methyl 5-[acetyl(2-methyl-5-nitrobenzene-1-sulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 5591-3731 |
| Compound Name: | methyl 5-[acetyl(2-methyl-5-nitrobenzene-1-sulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate |
| Molecular Weight: | 446.43 |
| Molecular Formula: | C20 H18 N2 O8 S |
| Smiles: | CC(N(c1ccc2c(c1)c(C(=O)OC)c(C)o2)S(c1cc(ccc1C)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3073 |
| logD: | 3.3073 |
| logSw: | -3.7319 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 108.788 |
| InChI Key: | SYQWTXRPPSFUKL-UHFFFAOYSA-N |