1H-Indole-3-propanamide, N-((1-(5-methoxy-2-pyridinyl)cyclohexyl)methyl)-alpha-methyl-alpha-((((4-nitrophenyl)amino)carbonyl)amino)-, (alphaS)-

Base Information

• Chemical Name: 1H-Indole-3-propanamide, N-((1-(5-methoxy-2-pyridinyl)cyclohexyl)methyl)-alpha-methyl-alpha-((((4-nitrophenyl)amino)carbonyl)amino)-, (alphaS)-
• CAS No.: 204067-01-6
• Molecular Formula: C32H36N6O5
• Molecular Weight: 584.67
• UNII: JT21Y57650
• DSSTox Substance ID: DTXSID90431389
• Wikidata: Q27088279
• Pharos Ligand ID: YMR337Y8JHXU
• ChEMBL ID: CHEMBL405908
• Mol file: 204067-01-6.mol

Synonyms:PD 176252;PD-176252;PD176252

Chemical Property of 1H-Indole-3-propanamide, N-((1-(5-methoxy-2-pyridinyl)cyclohexyl)methyl)-alpha-methyl-alpha-((((4-nitrophenyl)amino)carbonyl)amino)-, (alphaS)-

Chemical Property:

• Boiling Point: 838.8±65.0 °C(Predicted)
• PKA: 11.60±0.46(Predicted)
• PSA: 153.96000
• Density: 1.297±0.06 g/cm3(Predicted)
• LogP: 6.99890
• Storage Temp.: Store at +4°C
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 584.27471827
• Heavy Atom Count: 43
• Complexity: 962

Purity/Quality:

97% ^*data from raw suppliers

PD 176252 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CNC2=CC=CC=C21)(C(=O)NCC3(CCCCC3)C4=NC=C(C=C4)OC)NC(=O)NC5=CC=C(C=C5)[N+](=O)[O-]
• Isomeric SMILES: C[C@](CC1=CNC2=CC=CC=C21)(C(=O)NCC3(CCCCC3)C4=NC=C(C=C4)OC)NC(=O)NC5=CC=C(C=C5)[N+](=O)[O-]

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