SMILES:
CCc1nc(-c2nccs2)cn1-c1ccc(CCNC(=O)Oc2ccccc2)cc1Molecular Processing
Molecular formula
C23H22N4O2S
Molecular weight
418.52
Exact mass
418.1463
XLogP
4.89
TPSA
69.04
H-bond donors
1
H-bond acceptors
5
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
7
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
118.22
Supplementary Information
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