 Home > Encyclopedia > 2-[[4-(4-bromophenyl)-5-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid

2-[[4-(4-bromophenyl)-5-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid

2-[[4-(4-bromophenyl)-5-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid structure

CAS No:
116989-83-4
Formula:
C25H16BrClN6O2S
Chemical Name:
2-[[4-(4-bromophenyl)-5-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid

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2-[[4-(4-bromophenyl)-5-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Basic Attributes

Molecular Weight：

579.85600

Exact Mass：

577.99274

DSSTox ID：

DTXSID20151649

Characteristics

PSA：

124.02000

XLogP3：

5.95930

Density：

1.73g/cm3

Boiling Point：

785.3ºC

Flash Point：

428.7ºC

Refractive Index：

1.808

Vapor Pressure：

5.6E-26mmHg at 25°C

Computed Properties

Molecular Weight:579.9
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:577.99274
Monoisotopic Mass:577.99274
Topological Polar Surface Area:124
Heavy Atom Count:36
Complexity:794
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[4-(4-bromophenyl)-5-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Basic Attributes
Characteristics
Computed Properties
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