methyl 2-[[4-oxo-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetate
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methyl 2-[[4-oxo-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetate
structure -
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CAS No:
351162-14-6
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Formula:
C21H22N2O3S2
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Chemical Name:
methyl 2-[[4-oxo-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetate
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Synonyms:
351162-14-6;HMS3428F01;ZINC2281947;STK831051;AKOS001183213;MCULE-1681299483;methyl 2-{[3-oxo-4-(2-phenylethyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetate;AB00743687-01;SR-01000454616;SR-01000454616-1;Z19432412;methyl {[4-oxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate;methyl {[4-oxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]thio}acetate
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CAS No:
methyl 2-[[4-oxo-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetate Basic Attributes
414.5 g/mol
414.10718492 g/mol
Computed Properties
Molecular Weight:414.5
XLogP3:4.9
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:414.10718492
Monoisotopic Mass:414.10718492
Topological Polar Surface Area:113
Heavy Atom Count:28
Complexity:621
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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