ethyl 4-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]benzoate
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ethyl 4-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]benzoate
structure -
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CAS No:
743439-26-1
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Formula:
C19H19N3O2S
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Chemical Name:
ethyl 4-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]benzoate
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Synonyms:
ZINC2637192;STL307179;AKOS002218524;MCULE-1312895384;ST50133990;AB00723087-01;Z31221382;743439-26-1;ethyl 4-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}amino)benzoate;ethyl 4-[(2-methyl-5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b]thiophen-4- yl)amino]benzoate;ethyl 4-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)amino]benzoate
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CAS No:
ethyl 4-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]benzoate Basic Attributes
353.4 g/mol
353.11979803 g/mol
Computed Properties
Molecular Weight:353.4
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:353.11979803
Monoisotopic Mass:353.11979803
Topological Polar Surface Area:92.4
Heavy Atom Count:25
Complexity:483
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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