ethyl 2-[(11-benzyl-3-oxo-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate
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ethyl 2-[(11-benzyl-3-oxo-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate
structure -
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CAS No:
105543-97-3
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Formula:
C26H25N3O3S2
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Chemical Name:
ethyl 2-[(11-benzyl-3-oxo-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate
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Synonyms:
ethyl [(7-benzyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate;Oprea1_794278;AL-281/11335260;STK081150;ZINC19758808;AKOS002844726;MCULE-5981199175;AB00093392-01;105543-97-3
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CAS No:
ethyl 2-[(11-benzyl-3-oxo-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate Basic Attributes
491.6 g/mol
491.13373402 g/mol
Computed Properties
Molecular Weight:491.6
XLogP3:5.1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:491.13373402
Monoisotopic Mass:491.13373402
Topological Polar Surface Area:116
Heavy Atom Count:34
Complexity:766
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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