SMILES:
CCCCSc1cc(C(=O)Nc2nc3c(OC)ccc(N4CCOCC4)c3s2)ccn1Molecular Processing
Molecular formula
C22H26N4O3S2
Molecular weight
458.61
Exact mass
458.1446
XLogP
4.68
TPSA
76.58
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
127.03
Supplementary Information
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Involved in 2 reactions→