SMILES:
CCc1cc2c(NCCc3ccc4c(c3)OCCO4)nc(-c3cccnc3)nc2s1Molecular Processing
Molecular formula
C23H22N4O2S
Molecular weight
418.52
Exact mass
418.1463
XLogP
4.74
TPSA
69.16
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
119.65
Supplementary Information
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