名称: 5-(3,4-dichlorophenoxy)-6-methoxy-4-methyl-8-[(4-phthalimido-1methylbutyl)amino]quinoline
SMILES:
COc1cc(NC(C)CCCN2C(=O)c3ccccc3C2=O)c2nccc(C)c2c1Oc1ccc(Cl)c(Cl)c1Molecular Processing
Molecular formula
C30H27Cl2N3O4
Molecular weight
564.47
Exact mass
563.1379
XLogP
7.53
TPSA
80.76
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.233
Molar refractivity
153.7
Supplementary Information
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