CCOC(=O)CCc1ccc(C#N)cc1OC(C(=O)C1CCN(c2ccncc2)CC1)[C@H]1CCCN1
SMILES: CCOC(=O)CCc1ccc(C#N)cc1OC(C(=O)C1CCN(c2ccncc2)CC1)[C@H]1CCCN1

Molecular Processing

Molecular formula
C28H34N4O4
Molecular weight
490.6
Exact mass
490.258
XLogP
3.43
TPSA
104.55
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
36
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
135.73

Supplementary Information

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