 Home > Encyclopedia > 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone

2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone

2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone structure

CAS No:
775313-03-6
Formula:
C19H19BrN4OS
Chemical Name:
2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone
Synonyms:
ZINC2653715;AKOS033935544;MCULE-7733695872;AB00726377-01;Z25190825;2-{[5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[2,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-3-yl]ethan-1-one;775313-03-6

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2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone Basic Attributes

Molecular Weight：

431.4 g/mol

Exact Mass：

430.04629 g/mol

Characteristics

PSA：

88.9 Å²

Computed Properties

Molecular Weight:431.4
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:430.04629
Monoisotopic Mass:430.04629
Topological Polar Surface Area:88.9
Heavy Atom Count:26
Complexity:508
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone

Basic Attributes
Characteristics
Computed Properties

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