(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-chloro-6-fluorobenzoate
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![(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-chloro-6-fluorobenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5dd33b090bc642d0a5dcfdd319eb9779.png "(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-chloro-6-fluorobenzoate")
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-chloro-6-fluorobenzoate
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CAS No:
733006-17-2
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Formula:
C18H14ClFN2O3S
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Chemical Name:
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-chloro-6-fluorobenzoate
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Synonyms:
ZINC3867039;AKOS034438010;MCULE-8553801598;Z53786757;{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}methyl 2-chloro-6-fluorobenzoate;733006-17-2
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CAS No:
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-chloro-6-fluorobenzoate Basic Attributes
392.8 g/mol
392.0397693 g/mol
Computed Properties
Molecular Weight:392.8
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:392.0397693
Monoisotopic Mass:392.0397693
Topological Polar Surface Area:96
Heavy Atom Count:26
Complexity:619
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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