Название: 7-{[2-(4-Trifluoromethyl-phenyl)-pyridine-3-carbonyl]-amino}-quinoline-3-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1cnc2cc(NC(=O)c3cccnc3-c3ccc(C(F)(F)F)cc3)ccc2c1Molecular Processing
Molecular formula
C25H18F3N3O3
Molecular weight
465.43
Exact mass
465.13
XLogP
5.74
TPSA
81.18
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.12
Molar refractivity
120.33
Supplementary Information
Загрузка подробностей…
Участвует в 6 реакциях→