SMILES:
Cc1ncccc1C(=O)Nc1c(OCC2CC2)c(Cl)cc2c1[nH]c1cnccc12Molecular Processing
Molecular formula
C22H19ClN4O2
Molecular weight
406.87
Exact mass
406.1197
XLogP
5.11
TPSA
79.9
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
113.76
Supplementary Information
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