SMILES:
Cc1cc(N2CC=C(C(N)=O)CC2)c2c(C)c(C)n(-c3ccc(Cl)cc3Cl)c2n1Molecular Processing
Molecular formula
C22H22Cl2N4O
Molecular weight
429.35
Exact mass
428.1171
XLogP
4.88
TPSA
64.15
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
119.41
Supplementary Information
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