SMILES:
CC(C)(C)OC(=O)N1CCC2(CC1)CN(C1CCc3cc(-c4cnc(C#N)cn4)ccc31)C2Molecular Processing
Molecular formula
C26H31N5O2
Molecular weight
445.57
Exact mass
445.2478
XLogP
4.34
TPSA
82.35
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
33
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
124.29
Supplementary Information
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