SMILES:
Cc1cc2cc(Nc3ccnc4cc(C(=O)NCCc5ccccn5)sc34)ccc2[nH]1Molecular Processing
Molecular formula
C24H21N5OS
Molecular weight
427.53
Exact mass
427.1467
XLogP
5.2
TPSA
82.7
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
31
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
126.21
Supplementary Information
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