4-benzyl-5-[2-(2-hydroxyethoxy)ethylamino]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
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![4-benzyl-5-[2-(2-hydroxyethoxy)ethylamino]-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/20220811/636213d55b2e4137bc0820ef34a05b39.png "4-benzyl-5-[2-(2-hydroxyethoxy)ethylamino]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one")
4-benzyl-5-[2-(2-hydroxyethoxy)ethylamino]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
structure -
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CAS No:
896067-52-0
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Formula:
C22H27N3O3S
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Chemical Name:
4-benzyl-5-[2-(2-hydroxyethoxy)ethylamino]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
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Synonyms:
ZINC2443575;STK577714;AKOS005502294;MCULE-8924609057;3-benzyl-2-{[2-(2-hydroxyethoxy)ethyl]amino}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one;896067-52-0
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CAS No:
4-benzyl-5-[2-(2-hydroxyethoxy)ethylamino]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one Basic Attributes
413.5 g/mol
413.17731291 g/mol
Computed Properties
Molecular Weight:413.5
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:413.17731291
Monoisotopic Mass:413.17731291
Topological Polar Surface Area:102
Heavy Atom Count:29
Complexity:582
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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