SMILES:
CC(C)(CC(=O)c1ccc(-c2ccc(Nc3nc4ccccc4[nH]3)cc2)cc1)C(=O)OMolecular Processing
Molecular formula
C25H23N3O3
Molecular weight
413.48
Exact mass
413.1739
XLogP
5.66
TPSA
95.08
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.16
Molar refractivity
121.62
Supplementary Information
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