ethyl 2-(4-chloro-3-nitrobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-chloro-3-nitrobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(4-chloro-3-nitrobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2043-4338 |
| Compound Name: | ethyl 2-(4-chloro-3-nitrobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 422.89 |
| Molecular Formula: | C19 H19 Cl N2 O5 S |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7886 |
| logD: | -0.9237 |
| logSw: | -5.1829 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.879 |
| InChI Key: | PCILEUYYNJVEEN-SNVBAGLBSA-N |