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2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone

2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone structure

CAS No:
745805-79-2
Formula:
C20H18ClN3O2S
Chemical Name:
2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Synonyms:
MLS003127836;ZINC2646846;STL264173;AKOS001053606;MCULE-7648546892;SMR001835898;ST50416821;Z24190192;2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one;2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethanone;2-{5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl(1,2,4-triazol-3-ylthio)}-1-phenyl ethan-1-one;745805-79-2

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2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Basic Attributes

Molecular Weight：

399.9 g/mol

Exact Mass：

399.0808257 g/mol

Characteristics

PSA：

82.3 Å²

Computed Properties

Molecular Weight:399.9
XLogP3:4.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:399.0808257
Monoisotopic Mass:399.0808257
Topological Polar Surface Area:82.3
Heavy Atom Count:27
Complexity:482
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone

Basic Attributes
Characteristics
Computed Properties

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