SMILES:
CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1Molecular Processing
Molecular formula
C27H29N5O3
Molecular weight
471.56
Exact mass
471.227
XLogP
5.65
TPSA
95.5
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
135.35
Supplementary Information
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