Cc1cc(C#N)ccc1N1CCN(C(=O)[C@H]2CCN(/C(=N/C#N)N3CCCCC3)C[C@@H]2C(=O)NO)CC1
SMILES: Cc1cc(C#N)ccc1N1CCN(C(=O)[C@H]2CCN(/C(=N/C#N)N3CCCCC3)C[C@@H]2C(=O)NO)CC1

Molecular Processing

Molecular formula
C26H34N8O3
Molecular weight
506.61
Exact mass
506.2754
XLogP
1.28
TPSA
139.3
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
37
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.577
Molar refractivity
136.26

Supplementary Information

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