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

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

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

CAS No:
476484-18-1
Formula:
C26H24BrN3O2S2
Chemical Name:
2-[[3-(4-bromophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
Synonyms:
2-((3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3,5-dimethylphenyl)acetamide;2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide;ZINC1826102;STK001259;AKOS002172608;MCULE-3855033758;ST50060067;476484-18-1;N-(3,5-dimethylphenyl)-2-[3-(4-bromophenyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide

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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-(3,5-dimethylphenyl)acetamide Basic Attributes

Molecular Weight：

554.5 g/mol

Exact Mass：

553.04933 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:554.5
XLogP3:6.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:553.04933
Monoisotopic Mass:553.04933
Topological Polar Surface Area:115
Heavy Atom Count:34
Complexity:793
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-(3,5-dimethylphenyl)acetamide

Basic Attributes
Characteristics
Safety Information
Computed Properties

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