2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
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![2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/86b2cba2282e44ffb6415cee9f32ee8a.png "2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide")
2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
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CAS No:
618879-66-6
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Formula:
C21H23N3O2S2
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Chemical Name:
2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
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Synonyms:
2-[(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide;618879-66-6;ZINC2397059;STL255398;AKOS002188467;MCULE-7507585394;2-((3-Ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(m-tolyl)acetamide
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CAS No:
2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide Basic Attributes
413.6 g/mol
413.12316933 g/mol
Safety Information
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P273, P280, P305+P351+P338, P337+P313, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:413.6
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:413.12316933
Monoisotopic Mass:413.12316933
Topological Polar Surface Area:115
Heavy Atom Count:28
Complexity:641
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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