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2-(4-(5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanolhydrochloride

2-(4-(5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanolhydrochloride structure

CAS No:
1094042-01-9
Formula:
C23H27N3O4
Chemical Name:
2-(4-(5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanolhydrochloride
Synonyms:
2-(4-(5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanolhydrochloride;CYM 5442 hydrochloride;CYM 5442;2-(4-(5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanol;CYM5442 , 1094042-01-9;Ethanol, 2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-;CYM 5442 HCl;CYM 5442;CYM-5442

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2-(4-(5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanolhydrochloride Basic Attributes

Molecular Weight：

409.48

Exact Mass：

409.20015635

DSSTox ID：

DTXSID70648731

Characteristics

PSA：

89.64000

XLogP3：

4.16110

Density：

1.27±0.1 g/cm3

Boiling Point：

617.5±65.0 °C(Predicted)

PKA：

14.73±0.10

Safety Information

wgk germany：

Drug Information

MeSH Entry Terms：

2-(4-(5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl amino)ethanol

Computed Properties

Molecular Weight:409.5
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:409.20015635
Monoisotopic Mass:409.20015635
Topological Polar Surface Area:89.6
Heavy Atom Count:30
Complexity:525
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(4-(5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanolhydrochloride

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

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