4-chloro-3-[[2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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![4-chloro-3-[[2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/296c35095d8047f69456ca0dd24f7d03.png "4-chloro-3-[[2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid")
4-chloro-3-[[2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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CAS No:
731793-26-3
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Formula:
C19H18ClN5O4S
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Chemical Name:
4-chloro-3-[[2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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Synonyms:
ZINC3277437;AKOS033685666;MCULE-1399441019;Z19475569;4-chloro-3-(2-{[4-(2-methoxyethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid;731793-26-3
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CAS No:
4-chloro-3-[[2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid Basic Attributes
447.9 g/mol
447.0768029 g/mol
Computed Properties
Molecular Weight:447.9
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:447.0768029
Monoisotopic Mass:447.0768029
Topological Polar Surface Area:145
Heavy Atom Count:30
Complexity:583
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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