SMILES:
CC(C)C[C@@H](C(=O)Nc1nc(N(C)C)ns1)N1CC(Oc2ccccc2Cl)=CC1=OMolecular Processing
Molecular formula
C20H24ClN5O3S
Molecular weight
449.96
Exact mass
449.1288
XLogP
3.42
TPSA
87.66
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
117.98
Supplementary Information
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