methyl 2-(4-nitrobenzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(4-nitrobenzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-(4-nitrobenzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2798-1084 |
| Compound Name: | methyl 2-(4-nitrobenzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 346.36 |
| Molecular Formula: | C16 H14 N2 O5 S |
| Smiles: | COC(c1c2CCCc2sc1NC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2726 |
| logD: | -0.5543 |
| logSw: | -3.8595 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.966 |
| InChI Key: | VPBGUBAIGUYHMH-UHFFFAOYSA-N |