SMILES:
C#CC(C)(C)NCCCCOc1ccc2c(-c3ccc(Br)cc3)nsc2c1Molecular Processing
Molecular formula
C22H23BrN2OS
Molecular weight
443.41
Exact mass
442.0714
XLogP
5.89
TPSA
34.15
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
118.4
Supplementary Information
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