SMILES:
CC1CN(c2nc3c(s2)c(=O)ncn3Cc2cccc(Cl)c2Cl)CCO1Molecular Processing
Molecular formula
C17H16Cl2N4O2S
Molecular weight
411.31
Exact mass
410.0371
XLogP
3.43
TPSA
60.25
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
104.87
Supplementary Information
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