2-[[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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![2-[[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ed7b481aa1114a2db01004193e86c7aa.png "2-[[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one")
2-[[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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CAS No:
796066-78-9
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Formula:
C23H24N4O4S
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Chemical Name:
2-[[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
ZINC34802335;AKOS033985059;MCULE-9201122081;Z26985615;5-{[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl}-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one;796066-78-9
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CAS No:
2-[[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
452.5 g/mol
452.15182643 g/mol
Computed Properties
Molecular Weight:452.5
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:452.15182643
Monoisotopic Mass:452.15182643
Topological Polar Surface Area:112
Heavy Atom Count:32
Complexity:786
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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