 Home > Encyclopedia > 2-[[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-[[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-[[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure

CAS No:
734545-16-5
Formula:
C21H22N6O2S2
Chemical Name:
2-[[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Synonyms:
ZINC3343190;AKOS033904268;MCULE-6059546840;Z24172113;2-(2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;734545-16-5

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2-[[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Basic Attributes

Molecular Weight：

454.6 g/mol

Exact Mass：

454.12456631 g/mol

Characteristics

PSA：

169 Å²

Computed Properties

Molecular Weight:454.6
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:454.12456631
Monoisotopic Mass:454.12456631
Topological Polar Surface Area:169
Heavy Atom Count:31
Complexity:662
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: tert butyl methyl ether; methyl formate; thiophene; diphosphorus pentoxide; 2-chlorobutane; acid caprilic

Guide of 2-[[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Basic Attributes
Characteristics
Computed Properties

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