methyl 4-(4-methylphenyl)-2-[[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]thiophene-3-carboxylate
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methyl 4-(4-methylphenyl)-2-[[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]thiophene-3-carboxylate
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CAS No:
1212117-93-5
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Formula:
C25H25N3O3S2
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Chemical Name:
methyl 4-(4-methylphenyl)-2-[[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]thiophene-3-carboxylate
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Synonyms:
ZINC2158135;STL532688;AKOS030499458;1212117-93-5;methyl 4-(4-methylphenyl)-2-({[(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-3-carboxylate
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CAS No:
methyl 4-(4-methylphenyl)-2-[[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]thiophene-3-carboxylate Basic Attributes
479.6 g/mol
479.13373402 g/mol
Computed Properties
Molecular Weight:479.6
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:479.13373402
Monoisotopic Mass:479.13373402
Topological Polar Surface Area:122
Heavy Atom Count:33
Complexity:867
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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