Nombre: 8-[3-[N-(3-carboxypropionyl)-N-methylamino]-2,6-dichlorobenzyloxy]-2-methylquinoline
SMILES:
Cc1ccc2cccc(OCc3c(Cl)ccc(N(C)C(=O)CCC(=O)O)c3Cl)c2n1Molecular Processing
Molecular formula
C22H20Cl2N2O4
Molecular weight
447.32
Exact mass
446.08
XLogP
5.26
TPSA
79.73
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
117.55
Supplementary Information
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