7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione
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![7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c94f3fb16c724e0fbbef3ab9ca9eee13.png "7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione")
7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione
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CAS No:
309938-07-6
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Formula:
C22H21ClFN5O2
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Chemical Name:
7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione
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Synonyms:
7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione;ChemDiv1_004437;Oprea1_156643;SCHEMBL13938404;HMS599J15;ZINC1429490;STK804503;AKOS001630042;MCULE-4482202038;SR-01000438897;SR-01000438897-1;309938-07-6
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CAS No:
7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione Basic Attributes
441.9 g/mol
441.1367808 g/mol
Computed Properties
Molecular Weight:441.9
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:441.1367808
Monoisotopic Mass:441.1367808
Topological Polar Surface Area:70.5
Heavy Atom Count:31
Complexity:664
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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