ethyl 2-[(12-benzyl-9,9-diethyl-11-oxo-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaen-16-yl)sulfanyl]acetate
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ethyl 2-[(12-benzyl-9,9-diethyl-11-oxo-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaen-16-yl)sulfanyl]acetate
structure -
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CAS No:
847858-19-9
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Formula:
C28H30N4O3S
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Chemical Name:
ethyl 2-[(12-benzyl-9,9-diethyl-11-oxo-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaen-16-yl)sulfanyl]acetate
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Synonyms:
ZINC2414101;STL239267;AKOS025278099;MCULE-5453430319;847858-19-9;ethyl [(4-benzyl-6,6-diethyl-5-oxo-4,5,6,7-tetrahydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetate
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CAS No:
ethyl 2-[(12-benzyl-9,9-diethyl-11-oxo-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaen-16-yl)sulfanyl]acetate Basic Attributes
502.6 g/mol
502.20386201 g/mol
Computed Properties
Molecular Weight:502.6
XLogP3:5.6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:502.20386201
Monoisotopic Mass:502.20386201
Topological Polar Surface Area:103
Heavy Atom Count:36
Complexity:854
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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