AC1MFJP0 structure

AC1MFJP0

methyl 4-[3-[(4-methylphenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoate

Also Known As: Oprea1_528989|AN-655/14767017|methyl 4-[3-[(4-methylphenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoate|methyl 4-{3-[(4-methylbenzyl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}benzoate|methyl 4-(3-((4-methylbenzyl)thio)-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-6-yl)benzoate

CAS: 426239-01-2
Molecular Formula C26H22N4O3S
Molecular Weight 470.14127 g/mol
LogP 5.42902
Topological Polar Surface Area 86.23 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
Rotatable Bonds 5
Exact Mass 470.14127
Monoisotopic Mass 470.14127
Heavy Atoms 34
Complexity 1326.9642

Chemical Identifiers

CAS Number 426239-01-2
SMILES CC1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4NC(O3)C5=CC=C(C=C5)C(=O)OC)N=N2

Product Overview

AC1MFJP0 (CAS 426239-01-2), with molecular formula C26H22N4O3S and molecular weight 470.14127 g/mol. IUPAC: methyl 4-[3-[(4-methylphenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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