SMILES:
O=C1C(=Cc2ccccc2N2CCNCC2)SCCN1c1ccc(Cl)c(Cl)c1Molecular Processing
Molecular formula
C21H21Cl2N3OS
Molecular weight
434.39
Exact mass
433.0782
XLogP
4.52
TPSA
35.58
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
28
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
0.286
Molar refractivity
120.77
Supplementary Information
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