SMILES:
CC(C)NC(=O)NCc1cncc(-c2c(C#N)c3ccc(Cl)cc3n2C)c1Molecular Processing
Molecular formula
C20H20ClN5O
Molecular weight
381.87
Exact mass
381.1356
XLogP
3.97
TPSA
82.74
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
106.38
Supplementary Information
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