이름: ethyl ({5-bromo-3-[(2-chloro-3,6-difluorobenzyl)amino]pyrazin-2-yl}amino)(oxo)acetate
SMILES:
CCOC(=O)C(=O)Nc1ncc(Br)nc1NCc1c(F)ccc(F)c1ClMolecular Processing
Molecular formula
C15H12BrClF2N4O3
Molecular weight
449.64
Exact mass
447.9749
XLogP
3.28
TPSA
93.21
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
93.69
Supplementary Information
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