SMILES:
CCOC(=O)c1sc(N2CC(NC(=O)c3nc(Cl)c(CC)[nH]3)C2)nc1C(C)CMolecular Processing
Molecular formula
C18H24ClN5O3S
Molecular weight
425.94
Exact mass
425.1288
XLogP
3
TPSA
100.21
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
108.6
Supplementary Information
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