M&B 31426
Basic information
- CAS
88247-58-9- Standard SMILES
Cc1noc(C)c1C(c1ccc(C(C)C)cc1)N1CCN(C)CC1.Cl.Cl- InChIKey
AAJVQBSGIAYBRA-UHFFFAOYSA-N- Molecular formula
- C20H31Cl2N3O
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 399.184418
Names & identifiers
- Preferred name
- M&B 31426
- IUPAC
- 3,5-dimethyl-4-[(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methyl]-1,2-oxazole;dihydrochloride
Names & synonyms
88247-58-9M&B 31426M&B-31426Piperazine, 1-((3,5-dimethyl-4-isoxazolyl)(4-(1-methylethyl)phenyl)methyl)-4-methyl-, dihydrochloride, (+-)-RefChem:1548423,5-Dimethylisoxazol-4-yl-(4-isopropylphenyl)-(4-methylpiperazin-1-yl)methaneDTXSID1010080303,5-dimethyl-4-[(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methyl]-1,2-oxazole;dihydrochloride1-{(3,5-Dimethyl-1,2-oxazol-4-yl)[4-(propan-2-yl)phenyl]methyl}-4-methylpiperazine--hydrogen chloride (1/2)
Database identifiers
- CAS
88247-58-9- PubChem CID
- 139079
- DTXSID
DTXSID101008030
Properties
Computed structural properties
- Topological polar surface area
- 32.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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