SMILES:
Cc1c(C)c2c(c(C)c1N)CC(C)(CN1CCC(OCc3ccccc3)CC1)O2Molecular Processing
Molecular formula
C25H34N2O2
Molecular weight
394.56
Exact mass
394.262
XLogP
4.57
TPSA
47.72
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.52
Molar refractivity
118.5
Supplementary Information
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