(5Z)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione
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![(5Z)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2254640295614ed7809c585b61b6e4a5.png "(5Z)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione")
(5Z)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione
structure -
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CAS No:
500271-82-9
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Formula:
C21H25N3O2S
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Chemical Name:
(5Z)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione
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Synonyms:
ZINC6783095;STL001950;STL039306;AKOS005693148;AKOS030518297;(5Z)-1-butyl-2-sulfanyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)pyrimidine-4,6(1H,5H)-dione;(5Z)-1-butyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione;500271-82-9
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CAS No:
(5Z)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione Basic Attributes
383.5 g/mol
383.16674822 g/mol
Computed Properties
Molecular Weight:383.5
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:383.16674822
Monoisotopic Mass:383.16674822
Topological Polar Surface Area:84.7
Heavy Atom Count:27
Complexity:642
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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