SMILES:
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1ncc(-c2ccc3cc(-c4ccc(-c5c[nH]c([C@@H]6C[C@H]7C[C@H]7N6)n5)cc4)ccc3c2)[nH]1Molecular Processing
Molecular formula
C37H38N6O2
Molecular weight
598.75
Exact mass
598.3056
XLogP
7.78
TPSA
98.93
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
45
Rings
9
Aromatic rings
5
Saturated rings
4
Aliphatic rings
4
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.378
Molar refractivity
174.26
Supplementary Information
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