SMILES:
CC(C)C[C@@H](C(=O)Nc1ccn(C[C@@H](N)CO)n1)N1CC(Oc2ccccc2Cl)=CC1=OMolecular Processing
Molecular formula
C22H28ClN5O4
Molecular weight
461.95
Exact mass
461.183
XLogP
2.01
TPSA
122.71
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
121.04
Supplementary Information
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