SMILES:
CCN(CCO)CCSC[C@H]1CC[C@H](N(C)C(=O)Oc2ccc(Cl)cc2)CC1Molecular Processing
Molecular formula
C21H33ClN2O3S
Molecular weight
429.03
Exact mass
428.19
XLogP
4.38
TPSA
53.01
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
117.51
Supplementary Information
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