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Home > Encyclopedia > (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione

(5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione

(5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione structure

(5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione 

structure
  • CAS No:

    846590-92-9

  • Formula:

    C18H21N3O2S

  • Chemical Name:

    (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione

  • Synonyms:

    MLS000333198;CHEMBL1311010;HMS2790H04;ZINC5215675;STL004631;AKOS032388614;SMR000436538;(5Z)-5-[4-(azepan-1-yl)benzylidene]-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione;5-[1-(4-Azepan-1-yl-phenyl)-meth-(Z)-ylidene]-1-methyl-2-thioxo-dihydro-pyrimidine-4,6-dione;846590-92-9

(5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Basic Attributes

343.4 g/mol

343.13544809 g/mol

Characteristics

84.7 Ų

2.7 [ug/mL]

Computed Properties

Molecular Weight:343.4
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:343.13544809
Monoisotopic Mass:343.13544809
Topological Polar Surface Area:84.7
Heavy Atom Count:24
Complexity:545
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione

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