(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-chlorobenzoate
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(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-chlorobenzoate
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CAS No:
733006-45-6
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Formula:
C18H15ClN2O3S
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Chemical Name:
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-chlorobenzoate
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Synonyms:
ZINC3867041;ZINC03867041;AKOS034438061;MCULE-7123238410;Z53787363;{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}methyl 2-chlorobenzoate;733006-45-6
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CAS No:
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-chlorobenzoate Basic Attributes
374.8 g/mol
374.0491912 g/mol
Computed Properties
Molecular Weight:374.8
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:374.0491912
Monoisotopic Mass:374.0491912
Topological Polar Surface Area:96
Heavy Atom Count:25
Complexity:585
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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