methyl 2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0404 |
| Compound Name: | methyl 2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 365.37 |
| Molecular Formula: | C14 H15 N5 O5 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(Cn1cnc(n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0328 |
| logD: | -0.0859 |
| logSw: | -2.5786 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.673 |
| InChI Key: | DLBYKLFUAADDJO-UHFFFAOYSA-N |