SMILES:
COc1ccc(CN(Cc2ccc3c(c2)CC[C@H](N(C)C(=O)c2ccc(C4CCCCC4)cc2)C3)CC2CCOCC2)cc1Molecular Processing
Molecular formula
C39H50N2O3
Molecular weight
594.84
Exact mass
594.3821
XLogP
7.8
TPSA
42.01
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
44
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.513
Molar refractivity
177.27
Supplementary Information
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