SMILES:
CCOC(=O)c1sc(N2CCC(NC(=O)c3nc(Cl)c(CC)[nH]3)C(F)C2)nc1CMolecular Processing
Molecular formula
C18H23ClFN5O3S
Molecular weight
443.93
Exact mass
443.1194
XLogP
2.91
TPSA
100.21
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
108.76
Supplementary Information
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