SMILES:
c1cnc(Oc2ccc(Nc3nc4ccccc4s3)cc2)c(C2CCOCC2)c1Molecular Processing
Molecular formula
C23H21N3O2S
Molecular weight
403.51
Exact mass
403.1354
XLogP
6.12
TPSA
56.27
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
29
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
116.45
Supplementary Information
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