methyl 2-[[2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]benzoate
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methyl 2-[[2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]benzoate
structure -
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CAS No:
488733-30-8
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Formula:
C25H21N3O4S2
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Chemical Name:
methyl 2-[[2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]benzoate
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Synonyms:
methyl 2-[2-(4-oxo-3-phenyl-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5- b]thiophen-2-ylthio)acetylamino]benzoate;ZINC2339305;SBB083511;STK609893;AKOS002210728;MCULE-9524565650;ST50131587;488733-30-8;methyl 2-({[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
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CAS No:
methyl 2-[[2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]benzoate Basic Attributes
491.6 g/mol
491.09734851 g/mol
Computed Properties
Molecular Weight:491.6
XLogP3:5.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:491.09734851
Monoisotopic Mass:491.09734851
Topological Polar Surface Area:142
Heavy Atom Count:34
Complexity:831
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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