(5Z)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-(3-fluorophenyl)-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-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6541b77d602147beb3818968c30fb359.png "(5Z)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-(3-fluorophenyl)-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-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
structure -
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CAS No:
497076-55-8
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Formula:
C23H20FN3O2S
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Chemical Name:
(5Z)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
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Synonyms:
ZINC9379945;STK997852;STL149611;AKOS005749553;AKOS030517487;(5Z)-1-(3-fluorophenyl)-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-(3-fluorophenyl)-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione;497076-55-8
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CAS No:
(5Z)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Basic Attributes
421.5 g/mol
421.12602622 g/mol
Computed Properties
Molecular Weight:421.5
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:421.12602622
Monoisotopic Mass:421.12602622
Topological Polar Surface Area:84.7
Heavy Atom Count:30
Complexity:752
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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