6-tert-butyl-2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
6-tert-butyl-2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
6-tert-butyl-2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
Compound ID: | Y500-5066 |
Compound Name: | 6-tert-butyl-2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
Molecular Weight: | 419.5 |
Molecular Formula: | C19 H25 N5 O4 S |
Smiles: | Cc1cc(nn1CC(Nc1c(C(N)=O)c2CCC(Cc2s1)C(C)(C)C)=O)[N+]([O-])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.9446 |
logD: | 1.4854 |
logSw: | -2.6887 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 103.936 |
InChI Key: | PRSGHGJPXZJJBT-LLVKDONJSA-N |