 Home > Encyclopedia > 2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide

2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide

2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide structure

CAS No:
578759-50-9
Formula:
C25H21ClFN3O2S2
Chemical Name:
2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
Synonyms:
2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide;578759-50-9;ZINC2371065;STK582487;AKOS005506784;MCULE-3619836297;ST50419742;2-((3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide;2-[3-(4-chlorophenyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)]-N-(3-fluoro-4-methylphenyl)acetamide

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2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide Basic Attributes

Molecular Weight：

514.0 g/mol

Exact Mass：

513.0747751 g/mol

Characteristics

PSA：

115 Å²

Safety Information

GHS Classification：

|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:514.0
XLogP3:6.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:513.0747751
Monoisotopic Mass:513.0747751
Topological Polar Surface Area:115
Heavy Atom Count:34
Complexity:809
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide

Basic Attributes
Characteristics
Safety Information
Computed Properties

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