SMILES:
CCOC(=O)c1ccc(CCCC2SCC(=O)N2CCC2=CCCCC2)cc1ClMolecular Processing
Molecular formula
C23H30ClNO3S
Molecular weight
436.02
Exact mass
435.1635
XLogP
5.63
TPSA
46.61
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
29
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.565
Molar refractivity
119.47
Supplementary Information
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