 Home > Encyclopedia > N-[(4-Chlorophenyl)sulfonyl]-N'-[(2S)-3-methyl-1-oxo-1-{[1-(1,1,1 -trifluoro-4-methyl-2-oxo-3-pentanyl)-L-prolyl]amino}-2-butanyl]t erephthalamide

N-[(4-Chlorophenyl)sulfonyl]-N'-[(2S)-3-methyl-1-oxo-1-{[1-(1,1,1 -trifluoro-4-methyl-2-oxo-3-pentanyl)-L-prolyl]amino}-2-butanyl]t erephthalamide

N-[(4-Chlorophenyl)sulfonyl]-N'-[(2S)-3-methyl-1-oxo-1-{[1-(1,1,1 -trifluoro-4-methyl-2-oxo-3-pentanyl)-L-prolyl]amino}-2-butanyl]t erephthalamide structure

CAS No:
105080-50-0
Formula:
C30H34ClF3N4O7S
Chemical Name:
N-[(4-Chlorophenyl)sulfonyl]-N'-[(2S)-3-methyl-1-oxo-1-{[1-(1,1,1 -trifluoro-4-methyl-2-oxo-3-pentanyl)-L-prolyl]amino}-2-butanyl]t erephthalamide
Synonyms:
p-(p-chlorophenoxy)-thiophenol; 4-(4-chlorophenyl sulfonylcarbamoyl)benzoyl-L-valyl-L-prolyl-1-(RS)-(1-trifluoroacetyl-2-methylprolyl)amide; ICI-200,880; 4-(4'-chlorophenoxy)thiophenol; N-[4-[(4-Chlorophenyl)sulfonylaminocarbonyl]benzoyl]-L-valyl-N-[3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]-L-prolinamide; 4-(4-CHLORO-PHENOXY)-BENZENETHIOL; p-(p-Chlorphenoxy)-thiophenol;Expand

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N-[(4-Chlorophenyl)sulfonyl]-N'-[(2S)-3-methyl-1-oxo-1-{[1-(1,1,1 -trifluoro-4-methyl-2-oxo-3-pentanyl)-L-prolyl]amino}-2-butanyl]t erephthalamide Basic Attributes

Molecular Weight：

687.12700

Exact Mass：

686.1788828

Characteristics

PSA：

170.69000

XLogP3：

6.11710

Density：

1.358g/cm3

Refractive Index：

1.553

Drug Information

MeSH Entry Terms：

4-(4-chlorophenylsulfonylcarbamoyl)benzoyl-valyl-prolyl-1-(1-trifluoroacetyl-2-methylprolyl)amide

Computed Properties

Molecular Weight:687.1
XLogP3:5.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:11
Exact Mass:686.1788828
Monoisotopic Mass:686.1788828
Topological Polar Surface Area:167
Heavy Atom Count:46
Complexity:1240
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: acetic acid mw; molybdenum disulfide; hydralazine trade name; lacunar stroke; miconazole nitrate; pentanol

Guide of N-[(4-Chlorophenyl)sulfonyl]-N'-[(2S)-3-methyl-1-oxo-1-{[1-(1,1,1 -trifluoro-4-methyl-2-oxo-3-pentanyl)-L-prolyl]amino}-2-butanyl]t erephthalamide

Basic Attributes
Characteristics
Drug Information
Computed Properties

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