SMILES:
c1cnc(Oc2ccc(Nc3nc4ccccc4s3)cc2)c(C2CCOC2)c1Molecular Processing
Molecular formula
C22H19N3O2S
Molecular weight
389.48
Exact mass
389.1198
XLogP
5.73
TPSA
56.27
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
28
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
111.83
Supplementary Information
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