Basic information
- CAS
339019-78-2- Standard SMILES
Clc1ccccc1-c1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)no1- InChIKey
QLZIXLSQKORVGD-UHFFFAOYSA-N- Molecular formula
- C27H26ClN3O
- Average molar mass
- 444 g/mol
Names & identifiers
- Preferred name
- 1-Benzhydryl-4-{[5-(2-chlorophenyl)-3-isoxazolyl]methyl}piperazine
- IUPAC
- 3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-(2-chlorophenyl)-1,2-oxazole
- English name
- 1-Benzhydryl-4-([5-(2-chlorophenyl)-3-isoxazolyl]methyl)piperazine
- Molecular formula
- C27H26ClN3O
- Molecular weight
- 443.97
Names & synonyms
339019-78-21-benzhydryl-4-{[5-(2-chlorophenyl)-3-isoxazolyl]methyl}piperazine1-{[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl}-4-(diphenylmethyl)piperazine3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-(2-chlorophenyl)-1,2-oxazoleOprea1_317640AKOS0051012607N-663S1-Benzhydryl-4-([5-(2-chlorophenyl)-3-isoxazolyl]methyl)piperazinePiperazine, 1-[[5-(2-chlorophenyl)-3-isoxazolyl]methyl]-4-(diphenylmethyl)-
Database identifiers
- CAS
339019-78-2
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 32.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 539
Physicochemical properties
- Boiling point
- 563.2 · 563.2±45.0 °C(Predicted)
- Density
- 1.225 · 1.225±0.06 g/cm3(Predicted)
- pka
- 5.8 · 5.80±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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