SMILES:
CCOC(=O)CC(=O)Nc1nc(-c2ccc(OC)cc2)c(-c2cccnc2)s1Molecular Processing
Molecular formula
C20H19N3O4S
Molecular weight
397.46
Exact mass
397.1096
XLogP
3.77
TPSA
90.41
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
107.21
Supplementary Information
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