dipropan-2-yl 3-methyl-5-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]thiophene-2,4-dicarboxylate
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dipropan-2-yl 3-methyl-5-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]thiophene-2,4-dicarboxylate
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CAS No:
1089314-53-3
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Formula:
C25H31N3O5S2
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Chemical Name:
dipropan-2-yl 3-methyl-5-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]thiophene-2,4-dicarboxylate
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Synonyms:
C25H31N3O5S2;ZINC2122914;STK688813;AKOS024289504;1089314-53-3;dipropan-2-yl 3-methyl-5-({[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)thiophene-2,4-dicarboxylate
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CAS No:
dipropan-2-yl 3-methyl-5-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]thiophene-2,4-dicarboxylate Basic Attributes
517.7 g/mol
517.17051344 g/mol
Computed Properties
Molecular Weight:517.7
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:517.17051344
Monoisotopic Mass:517.17051344
Topological Polar Surface Area:149
Heavy Atom Count:35
Complexity:949
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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