SMILES:
CCCCCc1ccc(OC(=O)C23CCC(CCCCC)(CC2)CC3)c(C#N)c1C#NMolecular Processing
Molecular formula
C27H36N2O2
Molecular weight
420.6
Exact mass
420.2777
XLogP
6.99
TPSA
73.88
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
31
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
121.45
Supplementary Information
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