pentyl 2-[[11-benzyl-4-(4-methylphenyl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetate
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pentyl 2-[[11-benzyl-4-(4-methylphenyl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetate
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CAS No:
371206-64-3
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Formula:
C30H33N3O3S2
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Chemical Name:
pentyl 2-[[11-benzyl-4-(4-methylphenyl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetate
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Synonyms:
STK538910;ZINC53306831;AKOS005469655;MCULE-3399849798;371206-64-3;pentyl {[7-benzyl-3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
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CAS No:
pentyl 2-[[11-benzyl-4-(4-methylphenyl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetate Basic Attributes
547.7 g/mol
547.19633427 g/mol
Computed Properties
Molecular Weight:547.7
XLogP3:6.9
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:547.19633427
Monoisotopic Mass:547.19633427
Topological Polar Surface Area:116
Heavy Atom Count:38
Complexity:841
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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