5-[2-(dimethylamino)ethylamino]-4-(2-phenylethyl)-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-(2-phenylethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9d6e6dca67c64356b45a4460a47dab63.png "5-[2-(dimethylamino)ethylamino]-4-(2-phenylethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one")
5-[2-(dimethylamino)ethylamino]-4-(2-phenylethyl)-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:
896806-77-2
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Formula:
C23H30N4OS
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Chemical Name:
5-[2-(dimethylamino)ethylamino]-4-(2-phenylethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
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Synonyms:
MLS000758877;SMR000440117;CHEMBL1548535;HMS2785E12;ZINC2200567;STK587876;AKOS005510241;MCULE-9152191104;SR-01000765768;SR-01000765768-2;2-(2-Dimethylamino-ethylamino)-3-phenethyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4 -one;2-{[2-(dimethylamino)ethyl]amino}-3-(2-phenylethyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one;896806-77-2
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CAS No:
5-[2-(dimethylamino)ethylamino]-4-(2-phenylethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one Basic Attributes
410.6 g/mol
410.21403277 g/mol
Computed Properties
Molecular Weight:410.6
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:410.21403277
Monoisotopic Mass:410.21403277
Topological Polar Surface Area:76.2
Heavy Atom Count:29
Complexity:589
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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