1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]-5-methylpyrazole-3-carboxylic acid
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![1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]-5-methylpyrazole-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6abac709476f44899d27fc4ad11a7a8a.png "1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]-5-methylpyrazole-3-carboxylic acid")
1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]-5-methylpyrazole-3-carboxylic acid
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CAS No:
69181-11-9
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Formula:
C21H24N4O5S2
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Chemical Name:
1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]-5-methylpyrazole-3-carboxylic acid
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Synonyms:
NSC336030;69181-11-9;CHEMBL3228974;DTXSID60318794;NSC-336030
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CAS No:
1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]-5-methylpyrazole-3-carboxylic acid Basic Attributes
476.6 g/mol
476.11881223 g/mol
336030
DTXSID60318794
Computed Properties
Molecular Weight:476.6
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:476.11881223
Monoisotopic Mass:476.11881223
Topological Polar Surface Area:153
Heavy Atom Count:32
Complexity:847
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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