CCN1CCN(Cc2ccc(NC(=O)c3ccc(-c4cc(OC)cc(OC)c4)c4nccnc34)nc2)CC1
SMILES: CCN1CCN(Cc2ccc(NC(=O)c3ccc(-c4cc(OC)cc(OC)c4)c4nccnc34)nc2)CC1

Molecular Processing

Molecular formula
C29H32N6O3
Molecular weight
512.61
Exact mass
512.2536
XLogP
4.1
TPSA
92.71
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
147.66

Supplementary Information

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