5-[2-(dimethylamino)ethylamino]-4-(4-methoxyphenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
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5-[2-(dimethylamino)ethylamino]-4-(4-methoxyphenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
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CAS No:
896827-10-4
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Formula:
C22H28N4O2S
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Chemical Name:
5-[2-(dimethylamino)ethylamino]-4-(4-methoxyphenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
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Synonyms:
SMR000149555;MLS000559439;CHEMBL1561499;HMS2430N17;ZINC2216092;STK575994;AKOS005500359;MCULE-8093760131;2-(2-Dimethylamino-ethylamino)-3-(4-methoxy-phenyl)-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[ a]azulen-4-one;2-{[2-(dimethylamino)ethyl]amino}-3-(4-methoxyphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one;896827-10-4
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CAS No:
5-[2-(dimethylamino)ethylamino]-4-(4-methoxyphenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one Basic Attributes
412.6 g/mol
412.19329732 g/mol
Computed Properties
Molecular Weight:412.6
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:412.19329732
Monoisotopic Mass:412.19329732
Topological Polar Surface Area:85.4
Heavy Atom Count:29
Complexity:606
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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