SMILES:
CCCCNN1C=c2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2=NC1Molecular Processing
Molecular formula
C18H20Cl2N4O
Molecular weight
379.29
Exact mass
378.1014
XLogP
2.29
TPSA
49.63
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
102
Supplementary Information
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