SMILES:
CCC(C)C[C@@H](C(=O)Nc1ccn(C[C@@H](O)CO)n1)N1CC(Oc2ccccc2Cl)=CC1=OMolecular Processing
Molecular formula
C23H29ClN4O5
Molecular weight
476.96
Exact mass
476.1826
XLogP
2.44
TPSA
116.92
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
123.69
Supplementary Information
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