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

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

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

CAS No:
476484-32-9
Formula:
C25H21BrClN3O2S2
Chemical Name:
2-[[3-(4-bromophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-chloro-2-methylphenyl)acetamide
Synonyms:
2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-chloro-2-methylphenyl)acetamide;ZINC1878100;STL050804;AKOS002176173;MCULE-2117178214;ST50062904;2-((3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-chloro-2-methylphenyl)acetamide;2-[3-(4-bromophenyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimid in-2-ylthio)]-N-(4-chloro-2-methylphenyl)acetamide;476484-32-9

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

Molecular Weight：

574.9 g/mol

Exact Mass：

572.99471 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:574.9
XLogP3:7.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:572.99471
Monoisotopic Mass:572.99471
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-bromophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-chloro-2-methylphenyl)acetamide

Basic Attributes
Characteristics
Safety Information
Computed Properties

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