SMILES:
CCOC(=O)c1ccc2c(c1)CCC1C2=NN(c2ccc(C#N)c(COC)c2)C1C1CCCC1Molecular Processing
Molecular formula
C28H31N3O3
Molecular weight
457.57
Exact mass
457.2365
XLogP
5.23
TPSA
74.92
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
34
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.464
Molar refractivity
130.84
Supplementary Information
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