(9R)-7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-9-methyl-5-(4-methylphenyl)-8,9,10,11-tetrahydro-[1,4]diazocino[2,1-g][1,7]naphthyridine-6,13-dione

Base Information

• Chemical Name: (9R)-7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-9-methyl-5-(4-methylphenyl)-8,9,10,11-tetrahydro-[1,4]diazocino[2,1-g][1,7]naphthyridine-6,13-dione
• CAS No.: 183549-93-1
• Molecular Formula: C30H25F6N3O2
• UNII: QRT7W0TL6X
• Nikkaji Number: J1.023.802A
• Pharos Ligand ID: JXMFDCQ34RT8
• ChEMBL ID: CHEMBL339486
• Mol file: 183549-93-1.mol

Synonyms:(aR,9R)-7-(3,5-bis(trifluoromethyl)benzyl)-8,9,10,11-tetrahydro-9-methyl-5-(4-methylphenyl)-7H-(1,4)diazocino(2 1-g)(1,7)naphthyridine-6,13-dione;TAK 637;TAK-637;TAK637

Chemical Property of (9R)-7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-9-methyl-5-(4-methylphenyl)-8,9,10,11-tetrahydro-[1,4]diazocino[2,1-g][1,7]naphthyridine-6,13-dione

Chemical Property:

• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 573.18509602
• Heavy Atom Count: 41
• Complexity: 997

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCN2C(=C(C3=C(C2=O)N=CC=C3)C4=CC=C(C=C4)C)C(=O)N(C1)CC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F
• Isomeric SMILES: C[C@@H]1CCN2C(=C(C3=C(C2=O)N=CC=C3)C4=CC=C(C=C4)C)C(=O)N(C1)CC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F