methyl 2-[[12-oxo-11-(2-phenylethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetate
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methyl 2-[[12-oxo-11-(2-phenylethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetate
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CAS No:
374087-05-5
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Formula:
C20H20N2O3S2
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Chemical Name:
methyl 2-[[12-oxo-11-(2-phenylethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetate
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Synonyms:
ChemDivAM_000562;ChemDiv1_009573;Oprea1_420469;HMS614D03;ZINC2282750;CCG-20102;STK831451;AKOS001636810;MCULE-1740538121;EU-0044512;SR-01000489547;SR-01000489547-1;374087-05-5;methyl {[4-oxo-3-(2-phenylethyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate;methyl {[4-oxo-3-(2-phenylethyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]thio}acetate
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CAS No:
methyl 2-[[12-oxo-11-(2-phenylethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetate Basic Attributes
400.5 g/mol
400.09153485 g/mol
Computed Properties
Molecular Weight:400.5
XLogP3:4.4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:400.09153485
Monoisotopic Mass:400.09153485
Topological Polar Surface Area:113
Heavy Atom Count:27
Complexity:606
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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