N-(3-chloro-2-methylphenyl)-2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
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N-(3-chloro-2-methylphenyl)-2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
structure -
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CAS No:
618879-77-9
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Formula:
C21H22ClN3O2S2
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Chemical Name:
N-(3-chloro-2-methylphenyl)-2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
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Synonyms:
618879-77-9;N-(3-chloro-2-methylphenyl)-2-[(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide;ZINC2403923;STL339606;AKOS002188156;MCULE-4892197047;ST50081435;N-(3-Chloro-2-methylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide;N-(3-chloro-2-methylphenyl)-2-(3-ethyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiop heno[2,3-d]pyrimidin-2-ylthio))acetamide
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CAS No:
N-(3-chloro-2-methylphenyl)-2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide Basic Attributes
448.0 g/mol
447.0841970 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:448.0
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:447.0841970
Monoisotopic Mass:447.0841970
Topological Polar Surface Area:115
Heavy Atom Count:29
Complexity:676
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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