methyl 2-(4-benzyl-3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-6-yl)acetate
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methyl 2-(4-benzyl-3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-6-yl)acetate
structure -
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CAS No:
896823-65-7
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Formula:
C21H22N2O4S
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Chemical Name:
methyl 2-(4-benzyl-3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-6-yl)acetate
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Synonyms:
ZINC2212177;STK577855;AKOS005501901;MCULE-7002381938;896823-65-7;methyl (3-benzyl-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl)acetate
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CAS No:
methyl 2-(4-benzyl-3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-6-yl)acetate Basic Attributes
398.5 g/mol
398.13002836 g/mol
Computed Properties
Molecular Weight:398.5
XLogP3:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:398.13002836
Monoisotopic Mass:398.13002836
Topological Polar Surface Area:95.2
Heavy Atom Count:28
Complexity:622
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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