SMILES:
CN1CCN(c2ccccc2C=C2SCCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1Molecular Processing
Molecular formula
C22H23Cl2N3OS
Molecular weight
448.42
Exact mass
447.0939
XLogP
4.87
TPSA
26.79
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
125.4
Supplementary Information
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