CCOC(OCC)C(C)N(Cc1cccc2cccnc12)C(=O)C(N)CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
SMILES: CCOC(OCC)C(C)N(Cc1cccc2cccnc12)C(=O)C(N)CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1

Molecular Processing

Molecular formula
C40H44N4O4
Molecular weight
644.82
Exact mass
644.3363
XLogP
6.18
TPSA
106.78
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
15
Heavy atoms
48
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.275
Molar refractivity
188.74

Supplementary Information

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