methyl 4-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
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methyl 4-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
structure -
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CAS No:
804496-11-5
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Formula:
C24H19N3O4S
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Chemical Name:
methyl 4-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
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Synonyms:
ZINC3345720;AKOS033478629;MCULE-1270162286;Z16254711;804496-11-5;methyl 4-({[5-(2H-1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
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CAS No:
methyl 4-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Basic Attributes
445.5 g/mol
445.10962727 g/mol
Computed Properties
Molecular Weight:445.5
XLogP3:4.8
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:445.10962727
Monoisotopic Mass:445.10962727
Topological Polar Surface Area:101
Heavy Atom Count:32
Complexity:626
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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