이름: Compound 14
SMILES:
CO[C@@]12CC[C@@H](N(Cc3ccccc3)Cc3ccccc3)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5Molecular Processing
Molecular formula
C32H36N2O3
Molecular weight
496.65
Exact mass
496.2726
XLogP
4.9
TPSA
45.17
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
37
Rings
7
Aromatic rings
3
Saturated rings
2
Aliphatic rings
4
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
143.83
Supplementary Information
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