(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-chloro-4,5-difluorobenzoate
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![(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-chloro-4,5-difluorobenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4d539aad2837403f908c335b33a8ba8e.png "(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-chloro-4,5-difluorobenzoate")
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-chloro-4,5-difluorobenzoate
structure -
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CAS No:
733026-02-3
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Formula:
C18H13ClF2N2O3S
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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-4,5-difluorobenzoate
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Synonyms:
ZINC3318785;AKOS034437993;MCULE-9321719246;Z53786491;{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-4,5-difluorobenzoate;733026-02-3
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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-4,5-difluorobenzoate Basic Attributes
410.8 g/mol
410.0303475 g/mol
Computed Properties
Molecular Weight:410.8
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:410.0303475
Monoisotopic Mass:410.0303475
Topological Polar Surface Area:96
Heavy Atom Count:27
Complexity:652
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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