CHEMBL128274
C₂₁H₂₀O₂S·336.400 g/mol·CID 11002213
IUPAC: 1-(2-benzylsulfanylethoxy)-4-phenoxybenzene
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
336.400g/mol
Exact Mass
336.118401Da
Monoisotopic Mass
336.118401Da
XLogP
5.6
Polar Surface Area
43.8Ų
Complexity
316
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
3
Rotatable Bonds
8
Heavy Atoms
24
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 336.4 g/mol
MW ≤ 500
✗ 5.6
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
1 violation — may still have acceptable bioavailability
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C21H20O2S/c1-3-7-18(8-4-1)17-24-16-15-22-19-11-13-21(14-12-19)23-20-9-5-2-6-10-20/h1-14H,15-17H2