NC(=O)c1ccc(N2CCCC(Nc3ncccn3)C2)nc1Nc1ccc(C(=O)N2CCOCC2)cc1
SMILES: NC(=O)c1ccc(N2CCCC(Nc3ncccn3)C2)nc1Nc1ccc(C(=O)N2CCOCC2)cc1

Molecular Processing

Molecular formula
C26H30N8O3
Molecular weight
502.58
Exact mass
502.2441
XLogP
2.27
TPSA
138.6
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.346
Molar refractivity
140.09

Supplementary Information

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