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2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone

2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone structure

CAS No:
676623-96-4
Formula:
C17H20N4OS
Chemical Name:
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
Synonyms:
MLS002248380;CHEMBL1593005;HMS3094C16;ZINC2620718;AKOS001038616;MCULE-3795392594;SMR001315854;Z24161372;2-[(5-cyclopropyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one;676623-96-4

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2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone Basic Attributes

Molecular Weight：

328.4 g/mol

Exact Mass：

328.13578245 g/mol

Characteristics

PSA：

76.3 Å²

Water Solubility：

41.5 [ug/mL]

Computed Properties

Molecular Weight:328.4
XLogP3:2.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:328.13578245
Monoisotopic Mass:328.13578245
Topological Polar Surface Area:76.3
Heavy Atom Count:23
Complexity:419
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone

Basic Attributes
Characteristics
Computed Properties

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