ethyl 2-[2-(3-methyl-4-nitrophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(3-methyl-4-nitrophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-(3-methyl-4-nitrophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3772-1038 |
| Compound Name: | ethyl 2-[2-(3-methyl-4-nitrophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C20 H22 N2 O6 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(COc1ccc(c(C)c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6157 |
| logD: | 2.4339 |
| logSw: | -4.699 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.165 |
| InChI Key: | JRLAQLVRICAEQK-UHFFFAOYSA-N |