AC1L4THW
3-(4-benzyl-2-phenylpiperazin-1-yl)oxadiazol-3-ium-4-amine;chloride;hydrochloride
Also Known As: C19H21N5O.2ClH.3/2H2O|C19-H21-N5-O.2Cl-H.3/2H2-O|3-(4-Benzyl-3-phenyl-1-piperazinyl)sydnone imine dihydrochloride hydrate|Sydnone imine, 3-(4-benzyl-3-phenyl-1-piperazinyl)-, hydrochloride, hydrate (2:4:3)|4-amino-3-(4-benzyl-2-phenylpiperazin-1-yl)-1,2,3-oxadiazol-3-ium chloride hydrochloride(1:1:1)|3-(4-Benzyl-2-phenylpiperazin-1-yl)oxadiazol-3-ium-4-amine chloridehydrochloride|4-Amino-3-(4-benzyl-2-phenylpiperazin-1-yl)-3H-1,2,3-oxadiazol-1-ium chloride--hydrogen chloride (1/1/1)|3-(4-benzyl-2-phenylpiperazin-1-yl)oxadiazol-3-ium-4-amine chloride hydrochloride|3-(4-benzyl-2-phenylpiperazin-1-yl)oxadiazol-3-ium-4-amine,chloride,hydrochloride|1,2,3-Oxadiazolium,5-amino-3-[3-phenyl-4-(phenylmethyl)-1-piperazinyl]-, chloride, hydrochloride(1:1:1)
| Molecular Formula | C19H23Cl2N5O |
|---|---|
| Molecular Weight | 407.12796 g/mol |
| LogP | -0.8348 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.12796 |
| Monoisotopic Mass | 407.12796 |
| Heavy Atoms | 27 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 2902-56-9 |
|---|---|
| SMILES | C1CN(C(CN1CC2=CC=CC=C2)C3=CC=CC=C3)[N+]4=NOC=C4N.Cl.[Cl-] |
| InChIKey | FQBUFTNJUDGKEC-UHFFFAOYSA-M |
Product Overview
AC1L4THW (CAS 2902-56-9), with molecular formula C19H23Cl2N5O and molecular weight 407.12796 g/mol. IUPAC: 3-(4-benzyl-2-phenylpiperazin-1-yl)oxadiazol-3-ium-4-amine;chloride;hydrochloride.