SMILES:
Cc1onc(-c2ccccn2)c1CCc1ncc(C(=O)NC2CCOCC2)s1Molecular Processing
Molecular formula
C20H22N4O3S
Molecular weight
398.49
Exact mass
398.1413
XLogP
3.2
TPSA
90.14
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
105.3
Supplementary Information
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