SMILES:
CC(C)O[C@H]1CC[C@H](c2nnc3n2-c2ccc(Cl)cc2CN(Cc2ccccn2)C3)CC1Molecular Processing
Molecular formula
C25H30ClN5O
Molecular weight
452
Exact mass
451.2139
XLogP
5.28
TPSA
56.07
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
124.78
Supplementary Information
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