SMILES:
COc1ccc(NC(=O)c2ccc(-c3cc(-c4nnc(C)o4)ccc3C)cc2)cc1CN(C)CMolecular Processing
Molecular formula
C27H28N4O3
Molecular weight
456.55
Exact mass
456.2161
XLogP
5.34
TPSA
80.49
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
132.98
Supplementary Information
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