SMILES:
CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)cc2)[nH]1Molecular Processing
Molecular formula
C36H44N6O4
Molecular weight
624.79
Exact mass
624.3424
XLogP
8.28
TPSA
116.44
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
46
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
176.87
Supplementary Information
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