SMILES:
COC(=O)c1ccc2c(c1)CCC1C2=NN(c2ccc(C#N)c(O)c2)C1C1CCCC1Molecular Processing
Molecular formula
C25H25N3O3
Molecular weight
415.49
Exact mass
415.1896
XLogP
4.4
TPSA
85.92
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
31
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
0.4
Molar refractivity
117.18
Supplementary Information
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