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1-(azepan-1-yl)-2-pyrimidin-2-ylsulfanylethanone

1-(azepan-1-yl)-2-pyrimidin-2-ylsulfanylethanone structure

CAS No:
403833-46-5
Formula:
C12H17N3OS
Chemical Name:
1-(azepan-1-yl)-2-pyrimidin-2-ylsulfanylethanone
Synonyms:
MLS002246370;CHEMBL1727769;HMS3058N19;ZINC3320544;AKOS016453637;MCULE-4635167897;SMR001309986;SR-01000044156;SR-01000044156-1;Z18380803;1-(azepan-1-yl)-2-(pyrimidin-2-ylsulfanyl)ethan-1-one;403833-46-5

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1-(azepan-1-yl)-2-pyrimidin-2-ylsulfanylethanone Basic Attributes

Molecular Weight：

251.35 g/mol

Exact Mass：

251.10923335 g/mol

Characteristics

PSA：

71.4 Å²

Water Solubility：

>37.7 [ug/mL]

Computed Properties

Molecular Weight:251.35
XLogP3:1.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:251.10923335
Monoisotopic Mass:251.10923335
Topological Polar Surface Area:71.4
Heavy Atom Count:17
Complexity:236
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(azepan-1-yl)-2-pyrimidin-2-ylsulfanylethanone

Basic Attributes
Characteristics
Computed Properties

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