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[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate

[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate structure

CAS No:
736950-70-2
Formula:
C21H22N2O7S
Chemical Name:
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
Synonyms:
ZINC03306231;ZINC3306231;AKOS034438905;MCULE-8835629120;Z54074931;736950-70-2;tert-butyl 2-[2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridine-3-carbonyloxy]acetate

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[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Basic Attributes

Molecular Weight：

446.5 g/mol

Exact Mass：

446.11477222 g/mol

Characteristics

PSA：

138 Å²

Computed Properties

Molecular Weight:446.5
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:10
Exact Mass:446.11477222
Monoisotopic Mass:446.11477222
Topological Polar Surface Area:138
Heavy Atom Count:31
Complexity:654
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate

Basic Attributes
Characteristics
Computed Properties
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