dimethyl 2-(2-chloro-4-nitrobenzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-(2-chloro-4-nitrobenzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
dimethyl 2-(2-chloro-4-nitrobenzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Compound characteristics
| Compound ID: | 2798-0042 |
| Compound Name: | dimethyl 2-(2-chloro-4-nitrobenzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate |
| Molecular Weight: | 438.84 |
| Molecular Formula: | C18 H15 Cl N2 O7 S |
| Smiles: | COC(C1CCc2c1c(C(=O)OC)c(NC(c1ccc(cc1[Cl])[N+]([O-])=O)=O)s2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4435 |
| logD: | -0.8079 |
| logSw: | -4.3856 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.14 |
| InChI Key: | MHIQJXHJKZZRPY-JTQLQIEISA-N |