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ethyl 5-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

ethyl 5-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate structure

CAS No:
561028-19-1
Formula:
C18H18N2O4S
Chemical Name:
ethyl 5-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Synonyms:
MLS000053489;SMR000063596;ethyl 5-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;MLS002635650;CHEMBL1577749;BDBM34319;cid_2121288;HMS1754G13;HMS2355C11;ZINC2657533;AKOS000873246;MCULE-9798545438;Z19650932;ethyl 5-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;5-[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester;5-[2-(1,3-benzoxazol-2-ylthio)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester;561028-19-1

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ethyl 5-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Basic Attributes

Molecular Weight：

358.4 g/mol

Exact Mass：

358.09872823 g/mol

Characteristics

PSA：

111 Å²

Computed Properties

Molecular Weight:358.4
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:358.09872823
Monoisotopic Mass:358.09872823
Topological Polar Surface Area:111
Heavy Atom Count:25
Complexity:504
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 5-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Basic Attributes
Characteristics
Computed Properties
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