pentyl 2-(19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-ylsulfanyl)acetate
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pentyl 2-(19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-ylsulfanyl)acetate
structure -
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CAS No:
850746-43-9
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Formula:
C19H22N6O2S2
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Chemical Name:
pentyl 2-(19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-ylsulfanyl)acetate
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Synonyms:
STK597532;AKOS005518888;MCULE-4978824238;850746-43-9;pentyl (10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-ylsulfanyl)acetate
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CAS No:
pentyl 2-(19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-ylsulfanyl)acetate Basic Attributes
430.6 g/mol
430.12456631 g/mol
Computed Properties
Molecular Weight:430.6
XLogP3:4.7
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:430.12456631
Monoisotopic Mass:430.12456631
Topological Polar Surface Area:141
Heavy Atom Count:29
Complexity:601
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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