SMILES:
COc1cc(OC)c2c(=O)[nH]c(-c3cc(Cl)cc(N4CCN(C(C)C)CC4)c3)nc2c1Molecular Processing
Molecular formula
C23H27ClN4O3
Molecular weight
442.95
Exact mass
442.1772
XLogP
3.79
TPSA
70.69
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
124.84
Supplementary Information
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