6-(2-methylbutan-2-yl)-2-(4-methyl-3,5-dinitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
6-(2-methylbutan-2-yl)-2-(4-methyl-3,5-dinitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
6-(2-methylbutan-2-yl)-2-(4-methyl-3,5-dinitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y500-9307 |
| Compound Name: | 6-(2-methylbutan-2-yl)-2-(4-methyl-3,5-dinitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 474.53 |
| Molecular Formula: | C22 H26 N4 O6 S |
| Smiles: | CCC(C)(C)C1CCc2c(C(N)=O)c(NC(c3cc(c(C)c(c3)[N+]([O-])=O)[N+]([O-])=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3362 |
| logD: | -0.6042 |
| logSw: | -3.8573 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 123.265 |
| InChI Key: | PTRZIEGDHCXEQB-CYBMUJFWSA-N |