methyl 4-[[2-[(12-oxo-11-prop-2-enyl-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 4-[[2-[(12-oxo-11-prop-2-enyl-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:
300675-03-0
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Formula:
C22H21N3O4S2
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Chemical Name:
methyl 4-[[2-[(12-oxo-11-prop-2-enyl-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:
Oprea1_453164;ZINC1465909;STL306547;AKOS001060889;MCULE-5024985468;ST50051955;Z20221919;300675-03-0;methyl 4-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}acetamido)benzoate;methyl 4-[({[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate;methyl 4-[2-(4-oxo-3-prop-2-enyl-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino [4,5-b]thiophen-2-ylthio)acetylamino]benzoate
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CAS No:
methyl 4-[[2-[(12-oxo-11-prop-2-enyl-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
455.6 g/mol
455.09734851 g/mol
Computed Properties
Molecular Weight:455.6
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:455.09734851
Monoisotopic Mass:455.09734851
Topological Polar Surface Area:142
Heavy Atom Count:31
Complexity:766
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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