SMILES:
CCOC(=O)c1sc(N2CCC(NC(=O)c3nc(Cl)c(CC)[nH]3)C(OCC)C2)nc1C=OMolecular Processing
Molecular formula
C20H26ClN5O5S
Molecular weight
483.98
Exact mass
483.1343
XLogP
2.49
TPSA
126.51
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
119.93
Supplementary Information
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