diethyl 5-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
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diethyl 5-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
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CAS No:
753474-49-6
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Formula:
C22H24N2O6S
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Chemical Name:
diethyl 5-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
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Synonyms:
ZINC2660463;AKOS033658928;MCULE-1199803789;Z19091019;2,4-diethyl 5-({[3-(1,3-benzothiazol-2-yl)propanoyl]oxy}methyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;753474-49-6
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CAS No:
diethyl 5-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Basic Attributes
444.5 g/mol
444.13550766 g/mol
Computed Properties
Molecular Weight:444.5
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:12
Exact Mass:444.13550766
Monoisotopic Mass:444.13550766
Topological Polar Surface Area:136
Heavy Atom Count:31
Complexity:648
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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