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2-[[(2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-[[(2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure

CAS No:
956613-09-5
Formula:
C21H23ClF3N3O2S
Chemical Name:
2-[[(2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Synonyms:
ZINC2653047;AKOS034827012;MCULE-1854441535;Z56986976;2-[(2S)-2-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-3-methylbutanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;956613-09-5

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2-[[(2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Basic Attributes

Molecular Weight：

473.9 g/mol

Exact Mass：

473.1151603 g/mol

Characteristics

PSA：

113 Å²

Computed Properties

Molecular Weight:473.9
XLogP3:6.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:473.1151603
Monoisotopic Mass:473.1151603
Topological Polar Surface Area:113
Heavy Atom Count:31
Complexity:666
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[(2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Basic Attributes
Characteristics
Computed Properties

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