 Home > Encyclopedia > 3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-2-propyn-1-ol

3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-2-propyn-1-ol

3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-2-propyn-1-ol structure

CAS No:
132464-59-6
Formula:
C18H13ClN4OS
Chemical Name:
3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-2-propyn-1-ol
Synonyms:
3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-2-propyn-1-ol;CHEMBL32327;CTK4B7934;DTXSID50567971;BDBM50011858;ZINC13821393;FT-0664917;3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulen-2-yl]-prop-2-yn-1-ol;3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]prop-2-yn-1-ol;4-(-2-chlorophenyl)-2-(3-hydroxy-1-propynyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine

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Description

Yellow Solid

3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-2-propyn-1-ol Basic Attributes

Molecular Weight：

368.84002

Exact Mass：

368.05

DSSTox ID：

DTXSID50567971

Characteristics

PSA：

91.5

XLogP3：

1.3

Density：

1.45g/cm3

Boiling Point：

633ºC at 760 mmHg

Flash Point：

336.6ºC

Refractive Index：

1.733

Vapor Pressure：

6.83E-17mmHg at 25°C

3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-2-propyn-1-ol Use and Manufacturing

Platelet-activating factor (PAF) antagonist and an intermediate in the preparation of antiarrhythmics

Computed Properties

Molecular Weight:368.8
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:368.0498599
Monoisotopic Mass:368.0498599
Topological Polar Surface Area:91.5
Heavy Atom Count:25
Complexity:602
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-2-propyn-1-ol

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-2-propyn-1-ol

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