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2-[[2-(azepan-1-yl)-2-oxoethyl]sulfanylmethyl]-5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
2-[[2-(azepan-1-yl)-2-oxoethyl]sulfanylmethyl]-5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
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![2-[[2-(azepan-1-yl)-2-oxoethyl]sulfanylmethyl]-5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/90060f0f6e424187ac80ac7dbe20cdff.png "2-[[2-(azepan-1-yl)-2-oxoethyl]sulfanylmethyl]-5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one")
2-[[2-(azepan-1-yl)-2-oxoethyl]sulfanylmethyl]-5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
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CAS No:
745035-73-8
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Formula:
C21H22ClN3O2S2
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Chemical Name:
2-[[2-(azepan-1-yl)-2-oxoethyl]sulfanylmethyl]-5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
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Synonyms:
ZINC2639039;AKOS034366012;MCULE-2453377719;Z45334543;2-({[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}methyl)-5-(4-chlorophenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one;745035-73-8
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CAS No:
2-[[2-(azepan-1-yl)-2-oxoethyl]sulfanylmethyl]-5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Basic Attributes
448.0 g/mol
447.0841970 g/mol
Computed Properties
Molecular Weight:448.0
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:447.0841970
Monoisotopic Mass:447.0841970
Topological Polar Surface Area:115
Heavy Atom Count:29
Complexity:631
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 2-[[2-(azepan-1-yl)-2-oxoethyl]sulfanylmethyl]-5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
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