cyanomethyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
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cyanomethyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
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CAS No:
733763-66-1
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Formula:
C17H13N3O5S
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Chemical Name:
cyanomethyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
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Synonyms:
ZINC3332339;AKOS033432022;MCULE-3584829416;Z15661121;cyanomethyl 2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylate;733763-66-1
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CAS No:
cyanomethyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Basic Attributes
371.4 g/mol
371.05759170 g/mol
Computed Properties
Molecular Weight:371.4
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:371.05759170
Monoisotopic Mass:371.05759170
Topological Polar Surface Area:136
Heavy Atom Count:26
Complexity:566
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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