methyl 4-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]benzoate
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![methyl 4-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]benzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6e68607ca1e4414f8ae3550428f3f7a3.png "methyl 4-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]benzoate")
methyl 4-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]benzoate
structure -
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CAS No:
315711-91-2
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Formula:
C19H17N3O3S2
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Chemical Name:
methyl 4-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]benzoate
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Synonyms:
315711-91-2;methyl 4-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl}acetamido)benzoate;ChemDiv1_008804;HMS612A04;ZINC1896192;CCG-19263;AKOS001052492;MCULE-1214930285;ST50401940;AB00685717-01;SR-01000477530;SR-01000477530-1;Z20228741;F1174-1973;methyl 4-(2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamido)benzoate;methyl 4-(2-(5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophen-4-ylthio )acetylamino)benzoate;methyl 4-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamido)benzoate;Methyl 4-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]benzoate
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CAS No:
methyl 4-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]benzoate Basic Attributes
399.5 g/mol
399.07113376 g/mol
Computed Properties
Molecular Weight:399.5
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:399.07113376
Monoisotopic Mass:399.07113376
Topological Polar Surface Area:135
Heavy Atom Count:27
Complexity:556
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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