SMILES:
CCc1nn2c(-c3c(C)cc(C)cc3OC)cccc2c1N(CC1CCOCC1)CC1CC1Molecular Processing
Molecular formula
C28H37N3O2
Molecular weight
447.62
Exact mass
447.2886
XLogP
5.83
TPSA
39
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.536
Molar refractivity
134.51
Supplementary Information
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