 Home > Encyclopedia > 2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure

CAS No:
611175-65-6
Formula:
C27H26N4O4S
Chemical Name:
2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Synonyms:
2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;611175-65-6;Oprea1_698054;ZINC1466553;STK703617;AKOS002169867;MCULE-2105599168;2-(4-(1,3-Dioxoisoindolin-2-yl)butanamido)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide;2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Basic Attributes

Molecular Weight：

502.6 g/mol

Exact Mass：

502.16747650 g/mol

Characteristics

PSA：

137 Å²

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, 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:502.6
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:502.16747650
Monoisotopic Mass:502.16747650
Topological Polar Surface Area:137
Heavy Atom Count:36
Complexity:830
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Basic Attributes
Characteristics
Safety Information
Computed Properties

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