2-[[12,12-dimethyl-4-(3-methylphenyl)-3-oxo-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-phenylacetamide
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![2-[[12,12-dimethyl-4-(3-methylphenyl)-3-oxo-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-phenylacetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8a821c7632574434ab13811939e6f043.png "2-[[12,12-dimethyl-4-(3-methylphenyl)-3-oxo-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-phenylacetamide")
2-[[12,12-dimethyl-4-(3-methylphenyl)-3-oxo-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-phenylacetamide
structure -
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CAS No:
500273-80-3
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Formula:
C26H25N3O2S3
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Chemical Name:
2-[[12,12-dimethyl-4-(3-methylphenyl)-3-oxo-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-phenylacetamide
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Synonyms:
ZINC1895766;STK541638;AKOS005471475;MCULE-5955799246;2-{[6,6-dimethyl-3-(3-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamide;500273-80-3
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CAS No:
2-[[12,12-dimethyl-4-(3-methylphenyl)-3-oxo-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-phenylacetamide Basic Attributes
507.7 g/mol
507.11089057 g/mol
Computed Properties
Molecular Weight:507.7
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:507.11089057
Monoisotopic Mass:507.11089057
Topological Polar Surface Area:141
Heavy Atom Count:34
Complexity:813
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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