SMILES:
CC(C)C1C2C(C(=O)N1Cc1ccc3c(c1)OCO3)C(c1ccc(C(=N)N)cc1)N1CCCC21Molecular Processing
Molecular formula
C27H32N4O3
Molecular weight
460.58
Exact mass
460.2474
XLogP
3.52
TPSA
91.88
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
34
Rings
6
Aromatic rings
2
Saturated rings
3
Aliphatic rings
4
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
128.65
Supplementary Information
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