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4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl benzoate

4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl benzoate structure

CAS No:
844456-97-9
Formula:
C23H16N2O3S
Chemical Name:
4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl benzoate
Synonyms:
CHEMBL1271011;844456-97-9;4-((5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl benzoate;4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl benzoate;benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester;MLS002607765;SCHEMBL1531649;CHEBI:93280;ZINC2400771;BDBM50329323;STL005393;AKOS022094698;MCULE-8367785231;NCGC00185050-01;SMR001522639;Q27164993;4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)but-2-ynyl benzoate;4-{[5-(naphthalen-1-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl benzoate

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Description

Benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester is a member of naphthalenes.

4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl benzoate Basic Attributes

Molecular Weight：

400.5 g/mol

Exact Mass：

400.08816355 g/mol

Characteristics

PSA：

90.5 Å²

XLogP3：

4.8423

Computed Properties

Molecular Weight:400.5
XLogP3:5.1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:400.08816355
Monoisotopic Mass:400.08816355
Topological Polar Surface Area:90.5
Heavy Atom Count:29
Complexity:610
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl benzoate

Description
Basic Attributes
Characteristics
Computed Properties
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