C[C@@H](c1ccc(C2CCN(C(=O)N(C)C)CC2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O
SMILES: C[C@@H](c1ccc(C2CCN(C(=O)N(C)C)CC2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O

Molecular Processing

Molecular formula
C30H41N3O4
Molecular weight
507.68
Exact mass
507.3097
XLogP
5.51
TPSA
73.32
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
144.33

Supplementary Information

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