methyl 6-tert-butyl-2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 6-tert-butyl-2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-tert-butyl-2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0409 |
| Compound Name: | methyl 6-tert-butyl-2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C21 H28 N4 O5 S |
| Smiles: | Cc1c(c(C)n(CC(Nc2c(C(=O)OC)c3CCC(Cc3s2)C(C)(C)C)=O)n1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9666 |
| logD: | 1.6201 |
| logSw: | -4.3342 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.338 |
| InChI Key: | ONGGCQFIGCVCSN-CYBMUJFWSA-N |