2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)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-(4-phenoxyphenyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/61f69dae87024a63a003f493abf412b3.png "2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide")
2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
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CAS No:
618427-90-0
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Formula:
C26H25N3O3S2
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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-(4-phenoxyphenyl)acetamide
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Synonyms:
2-((3-Ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-phenoxyphenyl)acetamide;2-[(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide;618427-90-0;ZINC2264289;STL354851;AKOS002188434;MCULE-4779587349;ST50081363;2-(3-ethyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthi o))-N-(4-phenoxyphenyl)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-(4-phenoxyphenyl)acetamide Basic Attributes
491.6 g/mol
491.13373402 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:491.6
XLogP3:5.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:491.13373402
Monoisotopic Mass:491.13373402
Topological Polar Surface Area:125
Heavy Atom Count:34
Complexity:764
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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