methyl 2-(4-chloro-2-nitrobenzamido)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(4-chloro-2-nitrobenzamido)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-(4-chloro-2-nitrobenzamido)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3366-5299 |
| Compound Name: | methyl 2-(4-chloro-2-nitrobenzamido)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 464.97 |
| Molecular Formula: | C22 H25 Cl N2 O5 S |
| Smiles: | CCC(C)(C)C1CCc2c(C(=O)OC)c(NC(c3ccc(cc3[N+]([O-])=O)[Cl])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6049 |
| logD: | -1.4191 |
| logSw: | -6.0615 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.299 |
| InChI Key: | ZIUILEVCJGYBHX-GFCCVEGCSA-N |