SMILES:
CC1(C)c2cc(OCC3CCN(C4COC4)CC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21Molecular Processing
Molecular formula
C28H29N3O3
Molecular weight
455.56
Exact mass
455.2209
XLogP
4.4
TPSA
78.35
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
34
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
129.42
Supplementary Information
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