5-Acetyl-6-(3-ethoxy-4-hydroxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Base Information

• Chemical Name: 5-Acetyl-6-(3-ethoxy-4-hydroxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
• CAS No.: 5988-44-3
• Molecular Formula: C25H28N2O4
• Molecular Weight: 420.5
• DSSTox Substance ID: DTXSID90404290

Synonyms:5988-44-3;10-acetyl-11-(3-ethoxy-4-hydroxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one;AC1NCQZQ;CBMicro_039975;Oprea1_126252;Oprea1_386060;DTXSID90404290;AKOS005609001;5-acetyl-6-(3-ethoxy-4-hydroxy-phenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one;5-acetyl-6-(3-ethoxy-4-hydroxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one;BIM-0039736.P001;SR-01000224920;SR-01000224920-1

Chemical Property of 5-Acetyl-6-(3-ethoxy-4-hydroxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Chemical Property:

• Vapor Pressure: 1.72E-17mmHg at 25°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 420.20490738
• Heavy Atom Count: 31
• Complexity: 746

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Useful:

• Canonical SMILES: CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2C(=O)C)O

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