SMILES:
CC1=NC2(CC(C3CCCOC3)Oc3ccc(Br)cc32)NC1=SMolecular Processing
Molecular formula
C17H19BrN2O2S
Molecular weight
395.32
Exact mass
394.0351
XLogP
3.57
TPSA
42.85
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
97.24
Supplementary Information
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