SMILES:
C=Cc1cc(-c2cc3cc(CN4CCCCC4)ccc3n2C(=O)OC(C)(C)C)c2c(c1Cl)CNC2=OMolecular Processing
Molecular formula
C29H32ClN3O3
Molecular weight
506.05
Exact mass
505.2132
XLogP
6.62
TPSA
63.57
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.379
Molar refractivity
144.41
Supplementary Information
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