SMILES:
COc1cc(OC)c(-c2nncn2CC(C)C)cc1C=CC(=O)c1ccc(C(=O)O)cc1Molecular Processing
Molecular formula
C24H25N3O5
Molecular weight
435.48
Exact mass
435.1794
XLogP
4.21
TPSA
103.54
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
120.17
Supplementary Information
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