Name: 1-(6-(5-bromo-1-methyl-2-oxo-1,2-dihydropyridin-3-ylamino)pyridin-3-yl)-4-methylpiperazin-2-one
SMILES:
CN1CCN(c2ccc(Nc3cc(Br)cn(C)c3=O)nc2)C(=O)C1Molecular Processing
Molecular formula
C16H18BrN5O2
Molecular weight
392.26
Exact mass
391.0644
XLogP
1.56
TPSA
70.47
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
96.75
Supplementary Information
Details werden geladen…
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