Name: 4-[1-{[4-(methyloxy)phenyl]methyl}-3-(4-nitrophenyl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILES:
COc1ccc(Cn2cc(-c3ccnc4[nH]ccc34)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1Molecular Processing
Molecular formula
C24H19N5O3
Molecular weight
425.45
Exact mass
425.1488
XLogP
5.06
TPSA
98.87
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
32
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
121.5
Supplementary Information
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