ethyl 2-[[2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
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ethyl 2-[[2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
structure -
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CAS No:
571156-95-1
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Formula:
C21H20N2O5S2
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Chemical Name:
ethyl 2-[[2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
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Synonyms:
ZINC3338209;AKOS033627193;MCULE-8671443767;Z18509432;571156-95-1;ethyl 2-(2-{2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4(12),5,7,9-pentaen-3-yl}acetamido)-4,5-dimethylthiophene-3-carboxylate
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CAS No:
ethyl 2-[[2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Basic Attributes
444.5 g/mol
444.08136409 g/mol
Computed Properties
Molecular Weight:444.5
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:444.08136409
Monoisotopic Mass:444.08136409
Topological Polar Surface Area:129
Heavy Atom Count:30
Complexity:783
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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