Name: 1-[1-(3,4-dichlorophenyl)cyclobutyl]-2-(2-imidazolin-2-ylthio)ethanone hydrobromide
SMILES:
Br.O=C(CSC1=NCCN1)C1(c2ccc(Cl)c(Cl)c2)CCC1Molecular Processing
Molecular formula
C15H17BrCl2N2OS
Molecular weight
424.19
Exact mass
421.9622
XLogP
4.25
TPSA
41.46
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.467
Molar refractivity
100.08
Supplementary Information
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Involved in 2 reactions→