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4-(3-methylbutyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

4-(3-methylbutyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one structure

CAS No:
750624-62-5
Formula:
C14H16N4OS
Chemical Name:
4-(3-methylbutyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Synonyms:
4-(3-methylbutyl)-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one;MLS001172777;4-(3-methylbutyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one;SMR000595764;750624-62-5;CHEMBL1537130;SCHEMBL23494106;BDBM59062;cid_2120341;HMS2916N21;HMS3435L09;ZINC5858788;AKOS001773605;AKOS005199432;MCULE-3710718676;NE34439;EN300-10054;SR-01000053504;SR-01000053504-1;Z56989688;4-isoamyl-1-thioxo-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

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4-(3-methylbutyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one Basic Attributes

Molecular Weight：

288.37 g/mol

Exact Mass：

288.10448232 g/mol

Characteristics

PSA：

80 Å²

Water Solubility：

39.1 [ug/mL]

Computed Properties

Molecular Weight:288.37
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:288.10448232
Monoisotopic Mass:288.10448232
Topological Polar Surface Area:80
Heavy Atom Count:20
Complexity:462
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(3-methylbutyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Basic Attributes
Characteristics
Computed Properties

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