(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
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![(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f04d01898db54c16be3adf96ef15fdbf.png "(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate")
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
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CAS No:
728929-14-4
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Formula:
C27H20ClN3O3S
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Chemical Name:
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
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Synonyms:
ZINC3311240;AKOS034438005;MCULE-9980856285;Z53786665;{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}methyl 2-(4-chlorophenyl)quinoline-4-carboxylate;728929-14-4
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CAS No:
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate Basic Attributes
502.0 g/mol
501.0913904 g/mol
Computed Properties
Molecular Weight:502.0
XLogP3:6.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:501.0913904
Monoisotopic Mass:501.0913904
Topological Polar Surface Area:109
Heavy Atom Count:35
Complexity:848
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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