dimethyl 2-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate
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dimethyl 2-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate
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CAS No:
385401-71-8
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Formula:
C21H19N3O5S2
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Chemical Name:
dimethyl 2-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate
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Synonyms:
ZINC2087812;AKOS001424019;MCULE-2351014250;UPCMLD0ENAT5832424:001;Z20228663;1,4-dimethyl 2-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamido)benzene-1,4-dicarboxylate;385401-71-8
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CAS No:
dimethyl 2-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate Basic Attributes
457.5 g/mol
457.07661306 g/mol
Computed Properties
Molecular Weight:457.5
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:457.07661306
Monoisotopic Mass:457.07661306
Topological Polar Surface Area:161
Heavy Atom Count:31
Complexity:696
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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