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

2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

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

CAS No:
476484-87-4
Formula:
C26H22F3N3O3S2
Chemical Name:
2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Synonyms:
ZINC1804744;AKOS002376410;MCULE-4122960875;ST50419685;2-((3-(4-Methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide;2-[3-(4-methoxyphenyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrim idin-2-ylthio)]-N-[3-(trifluoromethyl)phenyl]acetamide;2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide;476484-87-4

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

Molecular Weight：

545.6 g/mol

Exact Mass：

545.10546841 g/mol

Characteristics

PSA：

125 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:545.6
XLogP3:6.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:545.10546841
Monoisotopic Mass:545.10546841
Topological Polar Surface Area:125
Heavy Atom Count:37
Complexity:881
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: r thioctic acid; lithium acetate; formula aluminium hydroxide; bioglutide; difluoroethane; diphosphorus pentoxide

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

Basic Attributes
Characteristics
Safety Information
Computed Properties

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