SMILES:
C[C@@H](c1ccc(-c2ccc3nn[nH]c3c2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=OMolecular Processing
Molecular formula
C28H30N4O3
Molecular weight
470.57
Exact mass
470.2318
XLogP
5.58
TPSA
91.34
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
134.58
Supplementary Information
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