methyl 5-[N-(4-chloro-3-nitrobenzene-1-sulfonyl)butanamido]-2-methyl-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
methyl 5-[N-(4-chloro-3-nitrobenzene-1-sulfonyl)butanamido]-2-methyl-1-benzofuran-3-carboxylate
methyl 5-[N-(4-chloro-3-nitrobenzene-1-sulfonyl)butanamido]-2-methyl-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 3461-3130 |
| Compound Name: | methyl 5-[N-(4-chloro-3-nitrobenzene-1-sulfonyl)butanamido]-2-methyl-1-benzofuran-3-carboxylate |
| Molecular Weight: | 494.91 |
| Molecular Formula: | C21 H19 Cl N2 O8 S |
| Smiles: | CCCC(N(c1ccc2c(c1)c(C(=O)OC)c(C)o2)S(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5517 |
| logD: | 4.5517 |
| logSw: | -4.9611 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 107.492 |
| InChI Key: | GNPXADHTJTUQBB-UHFFFAOYSA-N |