 Home > Encyclopedia > 4-[3-[2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2,5-dimethylpyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[3-[2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2,5-dimethylpyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[3-[2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2,5-dimethylpyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one structure

CAS No:
785706-05-0
Formula:
C28H27ClN6O2S
Chemical Name:
4-[3-[2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2,5-dimethylpyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
Synonyms:
ZINC2629674;AKOS033444651;MCULE-1246531244;Z15835236;4-[3-(2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one;785706-05-0

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4-[3-[2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2,5-dimethylpyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Basic Attributes

Molecular Weight：

547.1 g/mol

Exact Mass：

546.1604730 g/mol

Characteristics

PSA：

102 Å²

Computed Properties

Molecular Weight:547.1
XLogP3:5.4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:546.1604730
Monoisotopic Mass:546.1604730
Topological Polar Surface Area:102
Heavy Atom Count:38
Complexity:921
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[3-[2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2,5-dimethylpyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one

Basic Attributes
Characteristics
Computed Properties

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