ethyl 2-(4-chloro-3-nitrobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-chloro-3-nitrobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-(4-chloro-3-nitrobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3772-2547 |
| Compound Name: | ethyl 2-(4-chloro-3-nitrobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 422.89 |
| Molecular Formula: | C19 H19 Cl N2 O5 S |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8506 |
| logD: | -0.8617 |
| logSw: | -5.2051 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.21 |
| InChI Key: | ZJRCENCIPALUKG-UHFFFAOYSA-N |