2-[[4-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
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![2-[[4-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a1cabe4547d546178f84a9d3a9822ab4.png "2-[[4-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one")
2-[[4-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
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CAS No:
728016-57-7
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Formula:
C18H14ClN5O2S
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Chemical Name:
2-[[4-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
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Synonyms:
ZINC02225992;CBKinase1_012352;CBKinase1_024752;ZINC5796242;STK781835;STK850588;AKOS001733820;AKOS005629317;MCULE-1294333637;SR-01000298581;SR-01000298581-1;BRD-K90277908-001-01-1;2-{[4-(5-chloro-2-methoxyphenyl)-5-mercapto-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one;2-{[4-(5-chloro-2-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one;2-{[4-(5-chloro-2-methoxyphenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one;728016-57-7
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CAS No:
2-[[4-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Basic Attributes
399.9 g/mol
399.0556736 g/mol
Computed Properties
Molecular Weight:399.9
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:399.0556736
Monoisotopic Mass:399.0556736
Topological Polar Surface Area:102
Heavy Atom Count:27
Complexity:672
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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