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(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate

(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate structure

CAS No:
956202-93-0
Formula:
C21H21ClN2O7
Chemical Name:
(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
Synonyms:
(2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester;SMR000253627;MLS000335873;MLS003915049;CHEMBL1577698;CHEBI:121017;HMS2524M08;ZINC2658923;AKOS034827077;MCULE-6073801788;(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate;SR-01000053734;SR-01000053734-1;Q27209255;Z56991606;(6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl (2S)-2-[(2-chlorophenyl)formamido]-3-methylbutanoate;956202-93-0

Description

(2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester is a secondary carboxamide.

(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate Basic Attributes

Molecular Weight：

448.9 g/mol

Exact Mass：

448.1037287 g/mol

Characteristics

PSA：

120 Å²

Computed Properties

Molecular Weight:448.9
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:448.1037287
Monoisotopic Mass:448.1037287
Topological Polar Surface Area:120
Heavy Atom Count:31
Complexity:656
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate

Description
Basic Attributes
Characteristics
Computed Properties
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