dimethyl 2-(3-nitrobenzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-(3-nitrobenzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
dimethyl 2-(3-nitrobenzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Compound characteristics
| Compound ID: | 3002-0453 |
| Compound Name: | dimethyl 2-(3-nitrobenzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate |
| Molecular Weight: | 404.4 |
| Molecular Formula: | C18 H16 N2 O7 S |
| Smiles: | COC(C1CCc2c1c(C(=O)OC)c(NC(c1cccc(c1)[N+]([O-])=O)=O)s2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9134 |
| logD: | -1.3652 |
| logSw: | -3.6157 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.14 |
| InChI Key: | YKURBSSUYWJYME-NSHDSACASA-N |