SMILES:
CN(CCCn1c(-c2ccc(Br)cc2)csc1=Nc1ccccc1)C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C24H28BrN3O2S
Molecular weight
502.48
Exact mass
501.1086
XLogP
6.47
TPSA
46.83
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
130.59
Supplementary Information
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