S 145

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 11
Total Number of Articles : 19
PubChem 44298976
Molecular Formula

C20H27NO4S

SMILES

C1CC2C[C@@H]1[C@@H](C2NS(=O)(=O)C3=CC=CC=C3)C/C=C\CCCC(=O)O

InChI

InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16?,18+,20?/m1/s1

synonyms
  • CHEMBL56941
  • S 145
  • BDBM50008805
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Properties
Property Value
MW 377.5 g/mol
HBD 2
HBA 5
Rotatable Bond Count 9
Exact Mass 377.16607952 g/mol
Monoisotopic Mass 377.16607952 g/mol
Heavy Atom Count 26
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 604
xlogp 3.6
Topological Polar Surface Area 91.9