SMILES:
CC(C)(C)OC(=O)N1CCCC1c1ncc(C2=CC3SC(Br)=CC3S2)[nH]1Molecular Processing
Molecular formula
C18H22BrN3O2S2
Molecular weight
456.43
Exact mass
455.0337
XLogP
5.29
TPSA
58.22
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
26
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
111.25
Supplementary Information
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