 Home > Encyclopedia > [5-chloro-2-[[4-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methylamino]phenyl]-phenylmethanone

[5-chloro-2-[[4-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methylamino]phenyl]-phenylmethanone

[5-chloro-2-[[4-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methylamino]phenyl]-phenylmethanone structure

CAS No:
111070-78-1
Formula:
C24H21ClN4O2S
Chemical Name:
[5-chloro-2-[[4-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methylamino]phenyl]-phenylmethanone
Synonyms:
Methanone,(5-chloro-2-(((4,5-dihydro-4-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methyl)amino)phenyl)phenyl;

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[5-chloro-2-[[4-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methylamino]phenyl]-phenylmethanone Basic Attributes

Molecular Weight：

464.96700

Exact Mass：

464.1073748

DSSTox ID：

DTXSID00149488

Characteristics

PSA：

107.84000

XLogP3：

5.52420

Density：

1.32g/cm3

Boiling Point：

642.7ºC

Flash Point：

342.5ºC

Refractive Index：

1.664

Vapor Pressure：

2.07E-16mmHg at 25°C

Computed Properties

Molecular Weight:465.0
XLogP3:6.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:464.1073748
Monoisotopic Mass:464.1073748
Topological Polar Surface Area:98
Heavy Atom Count:32
Complexity:692
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [5-chloro-2-[[4-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methylamino]phenyl]-phenylmethanone

Basic Attributes
Characteristics
Computed Properties

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