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4-[1-[[[2,5-Dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3-thienyl]carbonyl]amino]cyclopropyl]benzoicacid

4-[1-[[[2,5-Dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3-thienyl]carbonyl]amino]cyclopropyl]benzoicacid structure

CAS No:
1006036-87-8
Formula:
C25H22F3NO3S
Chemical Name:
4-[1-[[[2,5-Dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3-thienyl]carbonyl]amino]cyclopropyl]benzoicacid
Synonyms:
4-[1-[[[2,5-Dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3-thienyl]carbonyl]amino]cyclopropyl]benzoic acid;MK-2894;4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]cyclopropyl}benzoic acid;MK 2894;MK2894;Benzoic acid, 4-[1-[[[2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3-thienyl]carbonyl]amino]cyclopropyl]-

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4-[1-[[[2,5-Dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3-thienyl]carbonyl]amino]cyclopropyl]benzoicacid Basic Attributes

Molecular Weight：

473.51

Exact Mass：

473.12724922

DSSTox ID：

DTXSID60648063

Characteristics

PSA：

94.64000

XLogP3：

6.48270

Density：

1.39±0.1 g/cm3

Melting Point：

254-256℃

Boiling Point：

569.4±50.0 °C(Predicted)

PKA：

4.35±0.10

Drug Information

MeSH Entry Terms：

4-(1-(((2,5-dimethyl-4-(4-(trifluoromethyl)benzyl)-3-thienyl)carbonyl)amino)cyclopropyl)benzoic acid

Computed Properties

Molecular Weight:473.5
XLogP3:5.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:473.12724922
Monoisotopic Mass:473.12724922
Topological Polar Surface Area:94.6
Heavy Atom Count:33
Complexity:725
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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MK-2894

CAS No.: 1006036-87-8

Content: 0.98%

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Guide of 4-[1-[[[2,5-Dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3-thienyl]carbonyl]amino]cyclopropyl]benzoicacid

Basic Attributes
Characteristics
Drug Information
Computed Properties
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