2-[[12,12-dimethyl-4-(4-methylphenyl)-3-oxo-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetic acid
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![2-[[12,12-dimethyl-4-(4-methylphenyl)-3-oxo-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3340b419a4bd491bac0cd0a8acb871a3.png "2-[[12,12-dimethyl-4-(4-methylphenyl)-3-oxo-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetic acid")
2-[[12,12-dimethyl-4-(4-methylphenyl)-3-oxo-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetic acid
structure -
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CAS No:
489422-70-0
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Formula:
C20H20N2O3S3
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Chemical Name:
2-[[12,12-dimethyl-4-(4-methylphenyl)-3-oxo-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetic acid
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Synonyms:
MLS000777904;HMS2747P14;ZINC1834829;STK542596;AKOS005471896;MCULE-2584792383;SMR000414298;(6,6-Dimethyl-4-oxo-3-p-tolyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-ylsulfan yl)-acetic acid;{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid;489422-70-0
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CAS No:
2-[[12,12-dimethyl-4-(4-methylphenyl)-3-oxo-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetic acid Basic Attributes
432.6 g/mol
432.06360602 g/mol
Computed Properties
Molecular Weight:432.6
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:432.06360602
Monoisotopic Mass:432.06360602
Topological Polar Surface Area:149
Heavy Atom Count:28
Complexity:676
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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