SMILES:
CCOC(=O)c1cc2c(C(C)(O)c3ccc4c(c3)OCO4)nc(N)nc2s1Molecular Processing
Molecular formula
C18H17N3O5S
Molecular weight
387.42
Exact mass
387.0889
XLogP
2.43
TPSA
116.79
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
99.02
Supplementary Information
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