 Home > Encyclopedia > 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone structure

CAS No:
757200-11-6
Formula:
C23H23N5OS2
Chemical Name:
1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Synonyms:
SMR000067211;MLS000058707;MLS002633613;CHEMBL1375436;HMS2324N16;ZINC2618165;AKOS033904280;MCULE-2504817473;Z24172173;1-{2,5-dimethyl-1-[(thiophen-2-yl)methyl]-1H-pyrrol-3-yl}-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one;757200-11-6

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1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Basic Attributes

Molecular Weight：

449.6 g/mol

Exact Mass：

449.13440272 g/mol

Characteristics

PSA：

119 Å²

Computed Properties

Molecular Weight:449.6
XLogP3:3.9
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:449.13440272
Monoisotopic Mass:449.13440272
Topological Polar Surface Area:119
Heavy Atom Count:31
Complexity:617
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Basic Attributes
Characteristics
Computed Properties

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