methyl 6-tert-butyl-2-[2-(4-chloro-5-methyl-3-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-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-tert-butyl-2-[2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0555 |
| Compound Name: | methyl 6-tert-butyl-2-[2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 468.96 |
| Molecular Formula: | C20 H25 Cl N4 O5 S |
| Smiles: | Cc1c(c(nn1CC(Nc1c(C(=O)OC)c2CCC(Cc2s1)C(C)(C)C)=O)[N+]([O-])=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4249 |
| logD: | 2.0784 |
| logSw: | -4.954 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.296 |
| InChI Key: | XWTSAUCWSOBUIL-LLVKDONJSA-N |