SMILES:
COc1ccc(-c2cc3c(cc2OC)N(C)C(=O)CN=C3c2cccc(C#N)c2)cc1Molecular Processing
Molecular formula
C25H21N3O3
Molecular weight
411.46
Exact mass
411.1583
XLogP
4.06
TPSA
74.92
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.16
Molar refractivity
120.06
Supplementary Information
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