SMILES:
CCCSC1(C(O)(C=Cc2ccc(Cl)cc2Cl)Cn2cncn2)CC1Molecular Processing
Molecular formula
C18H21Cl2N3OS
Molecular weight
398.36
Exact mass
397.0782
XLogP
4.71
TPSA
50.94
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
105.18
Supplementary Information
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