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ethyl 4-[[2-[[4-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate

ethyl 4-[[2-[[4-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate structure

CAS No:
900280-80-0
Formula:
C26H23ClN4O4S
Chemical Name:
ethyl 4-[[2-[[4-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Synonyms:
ZINC2363528;STK591908;AKOS005513827;MCULE-6703823725;ST50416587;900280-80-0;ethyl 4-[({[4-(4-chlorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate;ethyl 4-{2-[4-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-ylthio]acetyl amino}benzoate

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ethyl 4-[[2-[[4-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Basic Attributes

Molecular Weight：

523.0 g/mol

Exact Mass：

522.1128541 g/mol

Characteristics

PSA：

121 Å²

Computed Properties

Molecular Weight:523.0
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:522.1128541
Monoisotopic Mass:522.1128541
Topological Polar Surface Area:121
Heavy Atom Count:36
Complexity:697
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 4-[[2-[[4-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate

Basic Attributes
Characteristics
Computed Properties
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