4-[(3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-4-yl)iminomethyl]benzonitrile
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![4-[(3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-4-yl)iminomethyl]benzonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7277543b3e304322854052d600225f41.png "4-[(3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-4-yl)iminomethyl]benzonitrile")
4-[(3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-4-yl)iminomethyl]benzonitrile
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CAS No:
565180-68-9
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Formula:
C19H16N4OS
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Chemical Name:
4-[(3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-4-yl)iminomethyl]benzonitrile
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Synonyms:
AKOS034409606;ZINC254555031;MCULE-4943224906;Z49651353;4-[({3-oxo-8-thia-4,6-diazatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2(7),5-trien-4-yl}imino)methyl]benzonitrile;565180-68-9
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CAS No:
4-[(3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-4-yl)iminomethyl]benzonitrile Basic Attributes
348.4 g/mol
348.10448232 g/mol
Computed Properties
Molecular Weight:348.4
XLogP3:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:348.10448232
Monoisotopic Mass:348.10448232
Topological Polar Surface Area:97.1
Heavy Atom Count:25
Complexity:616
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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