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 |