SMILES:
CC(Nc1nc(OC2CC2)c2nc(Cl)ccc2n1)c1ccc(S(N)(=O)=O)cc1Molecular Processing
Molecular formula
C18H18ClN5O3S
Molecular weight
419.89
Exact mass
419.0819
XLogP
3.04
TPSA
120.09
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
105.85
Supplementary Information
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