SMILES:
CN1CCN(c2nc3c(C(=O)NC4CN5CCC4CC5)cccc3o2)[C@@H](c2ccccc2)C1Molecular Processing
Molecular formula
C26H31N5O2
Molecular weight
445.57
Exact mass
445.2478
XLogP
3.14
TPSA
64.85
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
33
Rings
7
Aromatic rings
3
Saturated rings
4
Aliphatic rings
4
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
128.45
Supplementary Information
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