SMILES:
C=Cc1ccc(-c2cc3cc(CN4CCCCC4)ccc3n2C(=O)OC(C)(C)C)c2c1CNC2=OMolecular Processing
Molecular formula
C29H33N3O3
Molecular weight
471.6
Exact mass
471.2522
XLogP
5.96
TPSA
63.57
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.379
Molar refractivity
139.4
Supplementary Information
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