SMILES:
CC(C)(C)OC(=O)c1cn(C2CCCC2)nc1-c1ccc(Oc2ccccc2)cc1Molecular Processing
Molecular formula
C25H28N2O3
Molecular weight
404.51
Exact mass
404.21
XLogP
6.41
TPSA
53.35
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
116.85
Supplementary Information
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