methyl 2-[3,5-dioxo-4-(2-phenylethyl)-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-[3,5-dioxo-4-(2-phenylethyl)-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:
896078-98-1
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Formula:
C22H24N2O4S
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Chemical Name:
methyl 2-[3,5-dioxo-4-(2-phenylethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-6-yl]acetate
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Synonyms:
ZINC2438911;STK579412;AKOS005503555;MCULE-9443601297;896078-98-1;methyl [2,4-dioxo-3-(2-phenylethyl)-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-[3,5-dioxo-4-(2-phenylethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-6-yl]acetate Basic Attributes
412.5 g/mol
412.14567842 g/mol
Computed Properties
Molecular Weight:412.5
XLogP3:4.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:412.14567842
Monoisotopic Mass:412.14567842
Topological Polar Surface Area:95.2
Heavy Atom Count:29
Complexity:636
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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