SMILES:
CCOC(=O)c1cnc(N2Cc3ccc(NC(=O)c4nc(Cl)c(CC)[nH]4)cc3C2)s1Molecular Processing
Molecular formula
C20H20ClN5O3S
Molecular weight
445.93
Exact mass
445.0975
XLogP
4.03
TPSA
100.21
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
115.33
Supplementary Information
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