CCCCCCN(C)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CO[C@@H](OCC2CCCCC2)CN1.Cl
SMILES: CCCCCCN(C)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CO[C@@H](OCC2CCCCC2)CN1.Cl

Molecular Processing

Molecular formula
C28H46ClF2N3O4
Molecular weight
562.14
Exact mass
561.3145
XLogP
4.79
TPSA
83.06
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
13
Heavy atoms
38
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.75
Molar refractivity
146.47

Supplementary Information

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