O=C(N[C@@H](CCCN[C@H]1CCCc2cccnc21)C(=O)NCc1cccc2ccccc12)c1ccc(CNCc2ccccn2)c2ccccc12
SMILES: O=C(N[C@@H](CCCN[C@H]1CCCc2cccnc21)C(=O)NCc1cccc2ccccc12)c1ccc(CNCc2ccccn2)c2ccccc12

Molecular Processing

Molecular formula
C43H44N6O2
Molecular weight
676.87
Exact mass
676.3526
XLogP
6.94
TPSA
108.04
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
14
Heavy atoms
51
Rings
7
Aromatic rings
6
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.256
Molar refractivity
202.93

Supplementary Information

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