SMILES:
Cc1ccnc(COc2ccc(Cl)nc2-c2ccc3c(c2)CCNCC3)c1Molecular Processing
Molecular formula
C22H22ClN3O
Molecular weight
379.89
Exact mass
379.1451
XLogP
4.37
TPSA
47.04
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
108.27
Supplementary Information
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