SMILES:
COc1cccc(-c2ocnc2C(=O)Nc2cnn(Cc3ccc(C(C)=O)s3)n2)c1Molecular Processing
Molecular formula
C20H17N5O4S
Molecular weight
423.45
Exact mass
423.1001
XLogP
3.51
TPSA
112.14
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.15
Molar refractivity
109.89
Supplementary Information
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