12,12-dimethyl-5-[(4-propan-2-yloxyphenyl)methylsulfanyl]-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
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![12,12-dimethyl-5-[(4-propan-2-yloxyphenyl)methylsulfanyl]-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1afb0d0724c943a285d55c1888438631.png "12,12-dimethyl-5-[(4-propan-2-yloxyphenyl)methylsulfanyl]-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one")
12,12-dimethyl-5-[(4-propan-2-yloxyphenyl)methylsulfanyl]-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
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CAS No:
499119-23-2
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Formula:
C21H24N2O2S3
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Chemical Name:
12,12-dimethyl-5-[(4-propan-2-yloxyphenyl)methylsulfanyl]-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
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Synonyms:
ZINC9046332;STL150591;AKOS005750730;AKOS030518265;MCULE-8081325110;2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one;499119-23-2;6,6-dimethyl-2-{[4-(propan-2-yloxy)benzyl]sulfanyl}-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
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CAS No:
12,12-dimethyl-5-[(4-propan-2-yloxyphenyl)methylsulfanyl]-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one Basic Attributes
432.6 g/mol
432.09999153 g/mol
Computed Properties
Molecular Weight:432.6
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:432.09999153
Monoisotopic Mass:432.09999153
Topological Polar Surface Area:130
Heavy Atom Count:28
Complexity:617
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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