 Home > Encyclopedia > ethyl 4-[3-[[3-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,5-dimethylpyrrol-1-yl]benzoate

ethyl 4-[3-[[3-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,5-dimethylpyrrol-1-yl]benzoate

ethyl 4-[3-[[3-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,5-dimethylpyrrol-1-yl]benzoate structure

CAS No:
741732-12-7
Formula:
C24H22ClN5O2S
Chemical Name:
ethyl 4-[3-[[3-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,5-dimethylpyrrol-1-yl]benzoate
Synonyms:
AKOS034409831;MCULE-8011760267;Z49674634;741732-12-7;ethyl 4-[3-({[3-(2-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate

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ethyl 4-[3-[[3-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,5-dimethylpyrrol-1-yl]benzoate Basic Attributes

Molecular Weight：

480.0 g/mol

Exact Mass：

479.1182738 g/mol

Characteristics

PSA：

103 Å²

Computed Properties

Molecular Weight:480.0
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:479.1182738
Monoisotopic Mass:479.1182738
Topological Polar Surface Area:103
Heavy Atom Count:33
Complexity:785
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 4-[3-[[3-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,5-dimethylpyrrol-1-yl]benzoate

Basic Attributes
Characteristics
Computed Properties
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