2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-2-phenylacetic acid
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![2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-2-phenylacetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/857ca0a598cc4e8787e7a5c55fe8d5bd.png "2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-2-phenylacetic acid")
2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-2-phenylacetic acid
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CAS No:
488827-01-6
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Formula:
C25H23F3N2O2S
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Chemical Name:
2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-2-phenylacetic acid
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Synonyms:
488827-01-6;2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-2-phenylacetic acid;2-{[6-(adamantan-1-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-2-phenylacetic acid;AM-807/14145006;KS-00003RX1;STL334324;AKOS003598954;MCULE-7399792284;SS-0470;{[3-cyano-6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}(phenyl)acetic acid
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CAS No:
2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-2-phenylacetic acid Basic Attributes
472.5225296
472.143
Computed Properties
Molecular Weight:472.5
XLogP3:6.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:472.14323364
Monoisotopic Mass:472.14323364
Topological Polar Surface Area:99.3
Heavy Atom Count:33
Complexity:762
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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