2-{[N-Cyclopentyl-N-(thiophene-2-carbonyl)glycyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Base Information

• Chemical Name: 2-{[N-Cyclopentyl-N-(thiophene-2-carbonyl)glycyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• CAS No.: 606109-66-4
• Molecular Formula: C22H27N3O3S2
• Molecular Weight: 445.59808
• DSSTox Substance ID: DTXSID70390445
• Mol file: 606109-66-4.mol

Synonyms:606109-66-4;2-{[N-Cyclopentyl-N-(2-thienylcarbonyl)glycyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzo[b]thiophene-3-carboxamide;DTXSID70390445;2-{[N-Cyclopentyl-N-(thiophene-2-carbonyl)glycyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;SR-01000330409;SR-01000330409-1

Chemical Property of 2-{[N-Cyclopentyl-N-(thiophene-2-carbonyl)glycyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Chemical Property:

• Boiling Point: 658.5±55.0 °C(Predicted)
• PKA: 12.84±0.40(Predicted)
• PSA: 152.47000
• Density: 1.35±0.1 g/cm3(Predicted)
• LogP: 5.40660
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 445.14938408
• Heavy Atom Count: 30
• Complexity: 670

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CN(C3CCCC3)C(=O)C4=CC=CS4

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