ethyl 2-(2-methyl-3-nitrobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-methyl-3-nitrobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-(2-methyl-3-nitrobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8009-6360 |
| Compound Name: | ethyl 2-(2-methyl-3-nitrobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C20 H22 N2 O5 S |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(c1cccc(c1C)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8763 |
| logD: | -0.435 |
| logSw: | -4.6325 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.21 |
| InChI Key: | ZFWGPUYMXCTWNJ-UHFFFAOYSA-N |