SMILES:
CCOC(=O)Cn1c2c(c3cc(C#N)ccc31)CC(C(=O)N(C)c1ccccc1)CC2Molecular Processing
Molecular formula
C25H25N3O3
Molecular weight
415.49
Exact mass
415.1896
XLogP
3.84
TPSA
75.33
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
118.65
Supplementary Information
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