Basic information
- CAS
58892-63-0- Standard SMILES
Clc1cccc(N2CCN(Cc3c(-c4ccccc4)c(CN4CCN(c5cccc(Cl)c5)CC4)n4ccccc34)CC2)c1- InChIKey
KNXXRGXMCVULPD-UHFFFAOYSA-N- Molecular formula
- C36H37Cl2N5
- Average molar mass
- 610.6 g/mol
- Monoisotopic mass
- 609.2426016
Names & identifiers
- Preferred name
- Indolizine, 1,3-bis((4-(3-chlorophenyl)-1-piperazinyl)methyl)-2-phenyl-
- IUPAC
- 1,3-bis[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-phenylindolizine
- English name
- 1,3-Bis[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-2-phenylindolizine
- Molecular formula
- C36H37Cl2N5
- Molecular weight
- 610.62
Names & synonyms
CDRI 71-15258892-63-0INDOLIZINE, 1,3-BIS((4-(3-CHLOROPHENYL)-1-PIPERAZINYL)METHYL)-2-PHENYL-DTXSID702076201,3-Bis((4-(3-chlorophenyl)-1-piperazinyl)methyl)-2-phenylindolizineRefChem:349369DTXCID20130111DB-3010381,3-Bis[[4-(3-chlorophenyl)-1-piperazinyl ]methyl ]-2-phenylindolizine1,3-Bis{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-2-phenylindolizineCDRI-71-1521,3-Bis[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-2-phenylindolizine
Show more names
1,3-bis[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-phenylindolizineIndolizine, 1,3-bis[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-2-phenyl-
Database identifiers
- CAS
58892-63-0- PubChem CID
- 42869
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 17.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 855
Physicochemical properties
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 7.87 · 7.87±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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