SMILES:
CC(C)(C)OC(=O)NC/C=C/c1cnc(N)c2c(Br)csc12Molecular Processing
Molecular formula
C15H18BrN3O2S
Molecular weight
384.3
Exact mass
383.0303
XLogP
4.18
TPSA
77.24
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
22
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
0.333
Molar refractivity
95
Supplementary Information
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