ethyl 2-[2-(3-nitro-1H-pyrazol-1-yl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(3-nitro-1H-pyrazol-1-yl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-[2-(3-nitro-1H-pyrazol-1-yl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8016-6449 |
| Compound Name: | ethyl 2-[2-(3-nitro-1H-pyrazol-1-yl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C17 H20 N4 O5 S |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(Cn1ccc(n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9354 |
| logD: | 0.7646 |
| logSw: | -3.3664 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.421 |
| InChI Key: | FMWIIJHPRRLRCM-UHFFFAOYSA-N |