SMILES:
CC1(C)C(=O)N(C2C3CCCC2CC(C(N)=O)C3)CC1COc1ccc(C#N)cn1Molecular Processing
Molecular formula
C23H30N4O3
Molecular weight
410.52
Exact mass
410.2318
XLogP
2.5
TPSA
109.31
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.652
Molar refractivity
109.97
Supplementary Information
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