SMILES:
CC(C#N)(Cn1nc2cc(Cl)cc(Cl)c2n1)NC(=O)c1ccc(C(C)(C)C)cc1Molecular Processing
Molecular formula
C21H21Cl2N5O
Molecular weight
430.34
Exact mass
429.1123
XLogP
4.75
TPSA
83.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
114.17
Supplementary Information
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