(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-chloro-5-methylsulfanylbenzoate
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![(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-chloro-5-methylsulfanylbenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e66a9e5d758e4e4ba738f5d8a2d6a275.png "(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-chloro-5-methylsulfanylbenzoate")
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-chloro-5-methylsulfanylbenzoate
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CAS No:
733018-17-2
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Formula:
C19H17ClN2O3S2
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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-5-methylsulfanylbenzoate
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Synonyms:
ZINC3316869;AKOS034438001;MCULE-2584926456;AB00718983-01;Z53786616;{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-5-(methylsulfanyl)benzoate;733018-17-2
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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-5-methylsulfanylbenzoate Basic Attributes
420.9 g/mol
420.0369124 g/mol
Computed Properties
Molecular Weight:420.9
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:420.0369124
Monoisotopic Mass:420.0369124
Topological Polar Surface Area:121
Heavy Atom Count:27
Complexity:632
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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