SMILES:
CC(=O)Nc1ccc(Sc2ccc(C)cc2Nc2ccnc3nn(C)cc23)cc1Molecular Processing
Molecular formula
C22H21N5OS
Molecular weight
403.51
Exact mass
403.1467
XLogP
5.13
TPSA
71.84
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
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
0.136
Molar refractivity
117.84
Supplementary Information
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