methyl 2-methyl-5-[(4-methyl-3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
methyl 2-methyl-5-[(4-methyl-3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
methyl 2-methyl-5-[(4-methyl-3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 5591-2114 |
| Compound Name: | methyl 2-methyl-5-[(4-methyl-3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 404.4 |
| Molecular Formula: | C18 H16 N2 O7 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)S(Nc1ccc2c(c1)c(C(=O)OC)c(C)o2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9502 |
| logD: | 3.4768 |
| logSw: | -4.3751 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.09 |
| InChI Key: | UEDBOLOODYHSCY-UHFFFAOYSA-N |