SMILES:
OCCOCCNCc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1Molecular Processing
Molecular formula
C26H26N4O2S
Molecular weight
458.59
Exact mass
458.1776
XLogP
5.29
TPSA
82.2
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
33
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
0.192
Molar refractivity
136.25
Supplementary Information
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