ethyl 5-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
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ethyl 5-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
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CAS No:
744263-96-5
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Formula:
C20H23N5O3S
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Chemical Name:
ethyl 5-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
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Synonyms:
SMR000152977;MLS000565828;MLS002635203;CHEMBL1583255;HMS2470B03;ZINC2636132;AKOS033480461;MCULE-9798492161;AB00536563-03;AB00536563-08;Z16261638;744263-96-5;ethyl 5-(2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
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CAS No:
ethyl 5-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Basic Attributes
413.5 g/mol
413.15216079 g/mol
Computed Properties
Molecular Weight:413.5
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:413.15216079
Monoisotopic Mass:413.15216079
Topological Polar Surface Area:128
Heavy Atom Count:29
Complexity:574
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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