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ZINC00928596 2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidaz

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摘 要:ZINC00928596 2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazo[3,,2-a]pyridine-3-carboxamide,Canonical SMILES: CC1=C(N2C=CC=CC2=N1)C(=O)NC3CCCC4=CC=CC=C34,Isomeric SMILES: CC1=C(N2C=CC=CC2=N1)C(=O)N[C@H]3CCCC4=CC=CC=C34,InChI: InChI=1/C19H19
[Synonyms]
ZINC00928596
[Structure]
ZINC00928596 2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidaz

[ Properties Computed from Structure]
Molecular Weight305.37366 [g/mol]
Molecular FormulaC19H19N3O
XLogP1.5
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count2
Tautomer Count2
Exact Mass305.152812
MonoIsotopic Mass305.152812
Topological Polar Surface Area46.4
Heavy Atom Count23
Formal Charge0
Complexity440
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazo[3,
2-a]pyridine-3-carboxamide
Canonical SMILES: CC1=C(N2C=CC=CC2=N1)C(=O)NC3CCCC4=CC=CC=C34
Isomeric SMILES: CC1=C(N2C=CC=CC2=N1)C(=O)N[C@H]3CCCC4=CC=CC=C34
InChI: InChI=1/C19H19N3O/c1-13-18(22-12-5-4-11-17(22)20-13)19(23)21-16-10-6-8-
14-7-2-3-9-15(14)16/h2-5,7,9,11-12,16H,6,8,10H2,1H3,(H,21,
23)/t16-/m0/s1/f/h21H

 
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