Methyl 6-(2-methylbutan-2-yl)-2-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Basic information
- CAS
5704-06-3- Standard SMILES
CCC(C)(C)C1CCc2c(sc(NC(=O)c3cc(-c4cccc(C)c4)nc4ccccc34)c2C(=O)OC)C1- InChIKey
HXIRMDJJZHJYSW-UHFFFAOYSA-N- Molecular formula
- C32H34N2O3S
- Average molar mass
- 526.7 g/mol
- Monoisotopic mass
- 526.22901412
Names & identifiers
- Preferred name
- Methyl 6-(2-methylbutan-2-yl)-2-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- methyl 6-(2-methylbutan-2-yl)-2-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Names & synonyms
5704-06-3AK-968/11840239methyl 6-(2-methylbutan-2-yl)-2-({[2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylatemethyl 6-(2-methylbutan-2-yl)-2-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateDTXSID70386429STK426948AKOS003236010AKOS022166829ST50913968methyl 2-({[2-(3-methylphenyl)-4-quinolinyl]carbonyl}amino)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylatemethyl 6-(1,1-dimethylpropyl)-2-{[2-(3-methylphenyl)(4-quinolyl)]carbonylamino }-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylateMethyl 6-(2-methylbutan-2-yl)-2-[2-(3-methylphenyl)quinoline-4-carboxamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Database identifiers
- CAS
5704-06-3- PubChem CID
- 2862899
- DTXSID
DTXSID70386429
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 849
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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