methyl 2-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
Compound ID: | 8015-6848 |
Compound Name: | methyl 2-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
Molecular Weight: | 378.4 |
Molecular Formula: | C16 H18 N4 O5 S |
Smiles: | COC(c1c2CCCCCc2sc1NC(Cn1cc(cn1)[N+]([O-])=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.7474 |
logD: | 0.5766 |
logSw: | -3.088 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 92.495 |
InChI Key: | YFALPXAGCFLCCK-UHFFFAOYSA-N |