이름: 1-[(2-Methoxyquinolin-3-yl)aminocarbonyl]-4-(3,5-dimethoxyphenyl)piperazine
SMILES:
COc1cc(OC)cc(N2CCN(C(=O)Nc3cc4ccccc4nc3OC)CC2)c1Molecular Processing
Molecular formula
C23H26N4O4
Molecular weight
422.49
Exact mass
422.1954
XLogP
3.61
TPSA
76.16
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
120.65
Supplementary Information
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