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ethyl 4-[[5-(2-chlorophenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanoate

ethyl 4-[[5-(2-chlorophenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanoate structure

CAS No:
782453-53-6
Formula:
C20H17ClFN3O3S
Chemical Name:
ethyl 4-[[5-(2-chlorophenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanoate
Synonyms:
CHEMBL4527469;ZINC2624851;AKOS033455853;MCULE-9453456692;Z16002368;782453-53-6;ethyl 4-{[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanoate

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ethyl 4-[[5-(2-chlorophenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanoate Basic Attributes

Molecular Weight：

433.9 g/mol

Exact Mass：

433.0663184 g/mol

Characteristics

PSA：

99.4 Å²

Computed Properties

Molecular Weight:433.9
XLogP3:4.5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:433.0663184
Monoisotopic Mass:433.0663184
Topological Polar Surface Area:99.4
Heavy Atom Count:29
Complexity:573
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 4-[[5-(2-chlorophenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanoate

Basic Attributes
Characteristics
Computed Properties
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