COc1ccc2c(c1)CCN(C1CCN(c3cc(C(=O)n4ccc5nc(OCc6ccccc6)ccc54)ncn3)CC1)C(=O)N2
SMILES: COc1ccc2c(c1)CCN(C1CCN(c3cc(C(=O)n4ccc5nc(OCc6ccccc6)ccc54)ncn3)CC1)C(=O)N2

Molecular Processing

Molecular formula
C34H33N7O4
Molecular weight
603.68
Exact mass
603.2594
XLogP
5.16
TPSA
114.71
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
45
Rings
7
Aromatic rings
5
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.265
Molar refractivity
169.93

Supplementary Information

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