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ethyl 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-phenyl-1H-pyrrole-3-carboxylate

ethyl 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-phenyl-1H-pyrrole-3-carboxylate structure

CAS No:
757221-28-6
Formula:
C22H22N2O3S
Chemical Name:
ethyl 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-phenyl-1H-pyrrole-3-carboxylate
Synonyms:
ZINC2619123;AKOS034470042;MCULE-1374891626;Z57000557;4-Phenyl-2-(benzylcarbamoylmethylthio)-1H-pyrrole-3-carboxylic acid ethyl ester;ethyl 2-{[(benzylcarbamoyl)methyl]sulfanyl}-4-phenyl-1H-pyrrole-3-carboxylate;757221-28-6

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ethyl 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-phenyl-1H-pyrrole-3-carboxylate Basic Attributes

Molecular Weight：

394.5 g/mol

Exact Mass：

394.13511374 g/mol

Characteristics

PSA：

96.5 Å²

Computed Properties

Molecular Weight:394.5
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:394.13511374
Monoisotopic Mass:394.13511374
Topological Polar Surface Area:96.5
Heavy Atom Count:28
Complexity:504
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-phenyl-1H-pyrrole-3-carboxylate

Basic Attributes
Characteristics
Computed Properties
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