Name: N′-(4-{4-[2-(4-formylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrazol-3-yl}phenyl)-N,N-dimethylurea
SMILES:
CN(C)C(=O)Nc1ccc(-c2n[nH]cc2-c2ccnc3[nH]c(-c4ccc(C=O)cc4)cc23)cc1Molecular Processing
Molecular formula
C26H22N6O2
Molecular weight
450.5
Exact mass
450.1804
XLogP
5.19
TPSA
106.77
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
34
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
0.077
Molar refractivity
132.64
Supplementary Information
Details werden geladen…
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