 Home > Encyclopedia > N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide structure

CAS No:
750627-23-7
Formula:
C23H23N7O2S
Chemical Name:
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Synonyms:
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide;MLS002248434;CHEMBL1906642;HMS3083P20;ZINC2656957;STL140387;AKOS001073996;MCULE-6312848180;SMR001315904;Z56990026;750627-23-7

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N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Basic Attributes

Molecular Weight：

461.5 g/mol

Exact Mass：

461.16339418 g/mol

Characteristics

PSA：

122 Å²

Water Solubility：

>69.2 [ug/mL]

Computed Properties

Molecular Weight:461.5
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:461.16339418
Monoisotopic Mass:461.16339418
Topological Polar Surface Area:122
Heavy Atom Count:33
Complexity:770
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Basic Attributes
Characteristics
Computed Properties

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