methyl 2-[[4-butyl-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
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methyl 2-[[4-butyl-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
structure -
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CAS No:
689749-71-1
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Formula:
C17H21N5O5S
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Chemical Name:
methyl 2-[[4-butyl-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
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Synonyms:
689749-71-1;methyl 2-((4-butyl-5-((4-nitrobenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate;methyl 2-[(4-butyl-5-{[(4-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate;Methyl 2-[[4-butyl-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate;ZINC2724051;AKOS024586383;MCULE-8598707305;F0601-0067
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CAS No:
methyl 2-[[4-butyl-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Basic Attributes
407.4 g/mol
407.12633996 g/mol
Computed Properties
Molecular Weight:407.4
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:407.12633996
Monoisotopic Mass:407.12633996
Topological Polar Surface Area:157
Heavy Atom Count:28
Complexity:539
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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