methyl 2-[2-(4-nitrophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(4-nitrophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-(4-nitrophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3772-0618 |
| Compound Name: | methyl 2-[2-(4-nitrophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 390.41 |
| Molecular Formula: | C18 H18 N2 O6 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(COc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6903 |
| logD: | 1.5085 |
| logSw: | -4.2012 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.886 |
| InChI Key: | NFZXIRLIJWGGRK-UHFFFAOYSA-N |