capsazepine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 165
Total Number of Articles : 623
PubChem 2733484
Molecular Formula

C19H21ClN2O2S

SMILES

C1CC2=CC(=C(C=C2CN(C1)C(=S)NCCC3=CC=C(C=C3)Cl)O)O

InChI

InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)

synonyms
  • capsazepine
  • 138977-28-3
  • N-[2-(4-Chlorophenyl)ethyl]-1,3,4,5-tetrahydro-7,8-dihydroxy-2H-2-benzazepine-2-carbothioamide
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Properties
Property Value
MW 376.9 g/mol
HBD 3
HBA 3
Rotatable Bond Count 3
Exact Mass 376.1012268 g/mol
Monoisotopic Mass 376.1012268 g/mol
Heavy Atom Count 25
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 445
xlogp 3.9
Topological Polar Surface Area 87.8