Ziprasidone | SBID = 1907 | Compound | Pubchem logo

Molecular Properties

Interactions: 3
PubChem TPSA/Å2: 76.7
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 4.0
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 5.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3: 309.3
Sum Formula: C21H21ClN4OS
M / g/mol: 412.9
Complexity: 573.0
Number of Conformers: 10.0

Identifiers

  • Tags: aromatic, typical guest, drug
  • Name: Ziprasidone
  • Preferred Abbreviation: Ziprasidone
  • IUPAC Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one
  • CAS: 146939-27-7
  • CID: 60854
  • InChiKey: MVWVFYHBGMAFLY-UHFFFAOYSA-N
  • InChi: InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
  • CanoSmiles: C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54
  • IsoSmiles: C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54