2-[(12,12-dimethyl-3-oxo-4-prop-2-enyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-pyridin-2-ylacetamide
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![2-[(12,12-dimethyl-3-oxo-4-prop-2-enyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-pyridin-2-ylacetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/195689e40b894f708137b1cea2253723.png "2-[(12,12-dimethyl-3-oxo-4-prop-2-enyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-pyridin-2-ylacetamide")
2-[(12,12-dimethyl-3-oxo-4-prop-2-enyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-pyridin-2-ylacetamide
structure -
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CAS No:
488793-82-4
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Formula:
C21H22N4O2S3
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Chemical Name:
2-[(12,12-dimethyl-3-oxo-4-prop-2-enyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-pyridin-2-ylacetamide
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Synonyms:
ZINC9065376;STK841234;AKOS005625199;CCG-323060;MCULE-7987459633;2-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(pyridin-2-yl)acetamide;488793-82-4
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CAS No:
2-[(12,12-dimethyl-3-oxo-4-prop-2-enyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-pyridin-2-ylacetamide Basic Attributes
458.6 g/mol
458.09048948 g/mol
Computed Properties
Molecular Weight:458.6
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:458.09048948
Monoisotopic Mass:458.09048948
Topological Polar Surface Area:154
Heavy Atom Count:30
Complexity:729
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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