SMILES:
CC(C)C[C@H](C(=O)N1CCN(c2ccccn2)C[C@@H]1C)[C@@H]1OC(C)(C)OC1=OMolecular Processing
Molecular formula
C21H31N3O4
Molecular weight
389.5
Exact mass
389.2315
XLogP
2.46
TPSA
71.97
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
105.61
Supplementary Information
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