1-(3,3-Dimethyl-2-oxobutyl)-1,2-dihydro-N-[3-(methylamino)phenyl]-2-oxo-5-phenyl-3H-1,3,4-benzotriazepine-3-acetamide

Base Information

• Chemical Name: 1-(3,3-Dimethyl-2-oxobutyl)-1,2-dihydro-N-[3-(methylamino)phenyl]-2-oxo-5-phenyl-3H-1,3,4-benzotriazepine-3-acetamide
• CAS No.: 528882-18-0
• Molecular Formula: C29H31N5O3
• ChEMBL ID: CHEMBL206709
• DSSTox Substance ID: DTXSID401106049

Synonyms:CHEMBL206709;SCHEMBL3915963;DTXSID401106049;BDBM50410846;1-(3,3-Dimethyl-2-oxobutyl)-1,2-dihydro-N-[3-(methylamino)phenyl]-2-oxo-5-phenyl-3H-1,3,4-benzotriazepine-3-acetamide;528882-18-0

Chemical Property of 1-(3,3-Dimethyl-2-oxobutyl)-1,2-dihydro-N-[3-(methylamino)phenyl]-2-oxo-5-phenyl-3H-1,3,4-benzotriazepine-3-acetamide

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 497.24268987
• Heavy Atom Count: 37
• Complexity: 860

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• Canonical SMILES: CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)NC3=CC=CC(=C3)NC)C4=CC=CC=C4

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