SMILES:
CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)CCCBr)cc2)cc1Molecular Processing
Molecular formula
C22H26BrN3O2S
Molecular weight
476.44
Exact mass
475.0929
XLogP
5.22
TPSA
70.23
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
126.93
Supplementary Information
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