SMILES:
COc1cccc(CN2CCn3c(cc4cc(OC5CCN(C(C)C)CC5)ccc43)C2=O)c1Molecular Processing
Molecular formula
C27H33N3O3
Molecular weight
447.58
Exact mass
447.2522
XLogP
4.56
TPSA
46.94
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
33
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
0.444
Molar refractivity
130.03
Supplementary Information
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