ethyl 2-(2-chloro-4-nitrobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-chloro-4-nitrobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-(2-chloro-4-nitrobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3772-3548 |
| Compound Name: | ethyl 2-(2-chloro-4-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(cc1[Cl])[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1114 |
| logD: | 0.3658 |
| logSw: | -5.6911 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.511 |
| InChI Key: | LZZGGDDCMFJHJU-UHFFFAOYSA-N |