Cc1c(C)c(C)c(CSC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)c(C)c1C.Cl
SMILES: Cc1c(C)c(C)c(CSC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)c(C)c1C.Cl

Molecular Processing

Molecular formula
C27H31ClN2S
Molecular weight
451.08
Exact mass
450.1896
XLogP
7.33
TPSA
24.39
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.296
Molar refractivity
137.61

Supplementary Information

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