CID 44413405
Chemical Structure Depiction
N,N-dimethyl-2-[(2Z)-2-[3-(2-pyridin-3-ylethyl)-2H-1,2,4-oxadiazol-5-ylidene]indol-4-yl]ethanamine
InChI=1S/C21H23N5O/c1-26(2)12-10-16-6-3-7-18-17(16)13-19(23-18)21-24-20(25-27-21)9-8-15-5-4-11-22-14-15/h3-7,11,13-14H,8-10,12H2,1-2H3,(H,24,25)/b21-19-
PEGFAMSMPXKFFN-VZCXRCSSSA-N
Isomeric SMILES
CN(C)CCC1=CC=CC2=N/C(=C\3/N=C(NO3)CCC4=CN=CC=C4)/C=C21
C21H23N5O
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Reference
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Molecular Weight
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361.4 g/mol
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XLogP3-AA
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1.6
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Hydrogen Bond Donor Count
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1
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Hydrogen Bond Acceptor Count
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5
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Rotatable Bond Count
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6
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Exact Mass
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361.19026037 g/mol
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Monoisotopic Mass
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361.19026037 g/mol
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Topological Polar Surface Area
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62.1A^2
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Heavy Atom Count
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27
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Formal Charge
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0
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Complexity
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769
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Isotope Atom Count
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0
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Defined Atom Stereocenter Count
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0
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Undefined Atom Stereocenter Count
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0
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Defined Bond Stereocenter Count
Property Value
1
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Undefined Bond Stereocenter Count
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0
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Covalently-Bonded Unit Count
Property Value
1
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Compound Is Canonicalized
Property Value
Yes
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CONTENTS