SMILES:
CCCCc1ccc(NC(O)=[SH]CCCN2CCN(CCCc3ccc(Cl)cc3)CC2)cc1.Cl.ClMolecular Processing
Molecular formula
C27H42Cl3N3OS
Molecular weight
563.08
Exact mass
561.2114
XLogP
6.69
TPSA
38.74
H-bond donors
3
H-bond acceptors
2
Rotatable bonds
12
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
3
Fraction Csp3
0.519
Molar refractivity
161.93
Supplementary Information
No supplementary data available
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