 Home > Encyclopedia > methyl 4-[[2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate

methyl 4-[[2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate

methyl 4-[[2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate structure

CAS No:
477329-17-2
Formula:
C27H25N3O5S2
Chemical Name:
methyl 4-[[2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate
Synonyms:
477329-17-2;methyl 4-[({[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate;ZINC2226082;STL002786;AKOS002175893;MCULE-3377117097;ST50062933;Methyl 4-(2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)benzoate;methyl 4-{2-[3-(4-methoxyphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2 ,3-d]pyrimidin-2-ylthio]acetylamino}benzoate

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methyl 4-[[2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate Basic Attributes

Molecular Weight：

535.6 g/mol

Exact Mass：

535.12356325 g/mol

Characteristics

PSA：

151 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:535.6
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:535.12356325
Monoisotopic Mass:535.12356325
Topological Polar Surface Area:151
Heavy Atom Count:37
Complexity:885
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of methyl 4-[[2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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