SMILES:
COc1cnc(N2CCOCC2)c2sc(NC(=O)c3ccc4c(c3)OCO4)nc12Molecular Processing
Molecular formula
C19H18N4O5S
Molecular weight
414.44
Exact mass
414.0998
XLogP
2.52
TPSA
95.04
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
107.52
Supplementary Information
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