 Home > Encyclopedia > 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone structure

CAS No:
727980-61-2
Formula:
C23H19Cl2N5O2S
Chemical Name:
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Synonyms:
ZINC3372173;AKOS033690696;MCULE-7915389239;Z19556909;1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-{[4-(3,4-dichlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one;727980-61-2

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1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Basic Attributes

Molecular Weight：

500.4 g/mol

Exact Mass：

499.0636514 g/mol

Characteristics

PSA：

119 Å²

Computed Properties

Molecular Weight:500.4
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:499.0636514
Monoisotopic Mass:499.0636514
Topological Polar Surface Area:119
Heavy Atom Count:33
Complexity:718
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Basic Attributes
Characteristics
Computed Properties

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