Name: 6-(4-methyl-piperazin-1-yl)-4-o-tolyl-nicotinamide
SMILES:
Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1C(N)=OMolecular Processing
Molecular formula
C18H22N4O
Molecular weight
310.4
Exact mass
310.1794
XLogP
1.91
TPSA
62.46
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
92.64
Supplementary Information
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