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(3,3-dimethyl-2-oxobutyl) 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate

(3,3-dimethyl-2-oxobutyl) 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate structure

CAS No:
745788-63-0
Formula:
C21H22N2O6S
Chemical Name:
(3,3-dimethyl-2-oxobutyl) 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
Synonyms:
HMS1756I21;ZINC2630126;AKOS002443754;MCULE-7550106377;AB00723368-01;Z15661133;3,3-dimethyl-2-oxobutyl 2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylate;745788-63-0

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(3,3-dimethyl-2-oxobutyl) 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Basic Attributes

Molecular Weight：

430.5 g/mol

Exact Mass：

430.11985760 g/mol

Characteristics

PSA：

129 Å²

Computed Properties

Molecular Weight:430.5
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:430.11985760
Monoisotopic Mass:430.11985760
Topological Polar Surface Area:129
Heavy Atom Count:30
Complexity:638
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3,3-dimethyl-2-oxobutyl) 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate

Basic Attributes
Characteristics
Computed Properties
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