SMILES:
CSC(=S)OC1(c2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1(C)CMolecular Processing
Molecular formula
C22H26ClNOS2
Molecular weight
420.04
Exact mass
419.1144
XLogP
6.13
TPSA
12.47
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
120.45
Supplementary Information
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