SMILES:
Cc1ccc(-n2ncc(C)n2)c(C(=O)N2CCC[C@@H](C)[C@H]2CNc2ccc(Cl)cn2)c1Molecular Processing
Molecular formula
C23H27ClN6O
Molecular weight
438.96
Exact mass
438.1935
XLogP
4.29
TPSA
75.94
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
121.79
Supplementary Information
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