methyl 4-[[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
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methyl 4-[[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
structure -
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CAS No:
615282-61-6
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Formula:
C18H19N5O2S2
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Chemical Name:
methyl 4-[[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
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Synonyms:
SMR000075080;methyl 4-({[4-allyl-5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}methyl)benzoate;methyl 4-{[5-(2-amino-4-methyl(1,3-thiazol-5-yl))-4-prop-2-enyl-1,2,4-triazol- 3-ylthio]methyl}benzoate;MLS000049276;MLS003906447;CHEMBL1602595;HMS2562C17;ZINC1447212;SBB083772;STK845018;AKOS002180695;MCULE-4250204782;ST50069360;SR-01000270668;SR-01000270668-1;615282-61-6;methyl 4-({[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
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CAS No:
methyl 4-[[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Basic Attributes
401.5 g/mol
401.09801721 g/mol
Computed Properties
Molecular Weight:401.5
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:401.09801721
Monoisotopic Mass:401.09801721
Topological Polar Surface Area:150
Heavy Atom Count:27
Complexity:518
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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