3-[(4-Methylbenzyl)thio]-6-(6-methylpyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Base Information

• Chemical Name: 3-[(4-Methylbenzyl)thio]-6-(6-methylpyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
• CAS No.: 6633-44-9
• Molecular Formula: C24H21N5OS
• Molecular Weight: 427.5
• DSSTox Substance ID: DTXSID70387739

Synonyms:6633-44-9;AC1MEORR;DTXSID70387739;AKOS000354392;EU-0079896;AB00112796-01;SR-01000503072;SR-01000503072-1;3-[(4-methylbenzyl)thio]-6-(6-methylpyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Chemical Property of 3-[(4-Methylbenzyl)thio]-6-(6-methylpyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Chemical Property:

• Vapor Pressure: 1.07E-19mmHg at 25°C
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 427.14668148
• Heavy Atom Count: 31
• Complexity: 574

Purity/Quality:

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Useful:

• Canonical SMILES: CC1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4NC(O3)C5=CC=CC(=N5)C)N=N2

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