methyl 2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y508-0941 |
| Compound Name: | methyl 2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 378.4 |
| Molecular Formula: | C16 H18 N4 O5 S |
| Smiles: | Cc1cc(nn1CC(Nc1c(C(=O)OC)c2CCCCc2s1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1502 |
| logD: | -0.1963 |
| logSw: | -2.6748 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.051 |
| InChI Key: | PABSWZNPSWPWIV-UHFFFAOYSA-N |