5-methyl-1-[4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]pyrazole-3-carboxylic acid
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![5-methyl-1-[4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]pyrazole-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/85666aa6659d46ffbaed350032cfe2ea.png "5-methyl-1-[4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]pyrazole-3-carboxylic acid")
5-methyl-1-[4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]pyrazole-3-carboxylic acid
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CAS No:
69181-08-4
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Formula:
C18H18N4O5S2
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Chemical Name:
5-methyl-1-[4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]pyrazole-3-carboxylic acid
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Synonyms:
69181-08-4;NSC336029;CHEMBL3228971;DTXSID00318793;NSC-336029;5-methyl-1-[4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]pyrazole-3-carboxylic acid;DS-003003;1H-PYRAZOLE-3-CARBOXYLICACID,5-METHYL-1-[4-[[TETRAHYDRO-4-OXO-3-(2-PROPEN-1-YL)-2-THIOXO-1(2H)-PYRIMIDINYL]SULFONYL]PHENYL]-
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CAS No:
5-methyl-1-[4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]pyrazole-3-carboxylic acid Basic Attributes
434.5 g/mol
434.07186203 g/mol
336029
DTXSID00318793
Computed Properties
Molecular Weight:434.5
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:434.07186203
Monoisotopic Mass:434.07186203
Topological Polar Surface Area:153
Heavy Atom Count:29
Complexity:789
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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