(5Z)-5-[[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylidene]-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
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![(5Z)-5-[[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylidene]-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d6abeba56a5a4fccbbbabee6f30b4ba4.png "(5Z)-5-[[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylidene]-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione")
(5Z)-5-[[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylidene]-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
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CAS No:
445405-22-1
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Formula:
C25H24N4O2S
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Chemical Name:
(5Z)-5-[[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylidene]-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
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Synonyms:
ZINC9111404;STK571100;STK984160;AKOS003251899;AKOS005496453;(5Z)-5-({1-[4-(dimethylamino)phenyl]-1H-pyrrol-2-yl}methylidene)-1-(3,4-dimethylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione;(5Z)-5-({1-[4-(dimethylamino)phenyl]-1H-pyrrol-2-yl}methylidene)-1-(3,4-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione;445405-22-1
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CAS No:
(5Z)-5-[[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylidene]-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Basic Attributes
444.6 g/mol
444.16199719 g/mol
Computed Properties
Molecular Weight:444.6
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:444.16199719
Monoisotopic Mass:444.16199719
Topological Polar Surface Area:89.7
Heavy Atom Count:32
Complexity:774
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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