Name: 1-[1-(4-chlorophenyl)cyclobutyl]-2-(3,4,5,6-tetrahydropyrimidin-2-ylthio)ethanone hydrobromide
SMILES:
Br.O=C(CSC1=NCCCN1)C1(c2ccc(Cl)cc2)CCC1Molecular Processing
Molecular formula
C16H20BrClN2OS
Molecular weight
403.77
Exact mass
402.0168
XLogP
3.99
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
6
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
99.69
Supplementary Information
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Involved in 2 reactions→