2(3H)-Oxazolone, 4-(4-methylphenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, (Z)-2-butenedioate
Basic information
- CAS
120944-28-7- Standard SMILES
Cc1ccc(-c2[nH]c(=O)oc2CCN2CCN(c3ccccc3)CC2)cc1.O=C(O)/C=C/C(=O)O- InChIKey
WYKPFIUTXIULSN-WLHGVMLRSA-N- Molecular formula
- C26H29N3O6
- Average molar mass
- 479.5 g/mol
- Monoisotopic mass
- 479.20563565
Names & identifiers
- Preferred name
- 2(3H)-Oxazolone, 4-(4-methylphenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, (Z)-2-butenedioate
- IUPAC
- (E)-but-2-enedioic acid;4-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one
Names & synonyms
2(3H)-Oxazolone, 4-(4-methylphenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, (Z)-2-butenedioate120944-28-7RefChem:10587604-(4-Methylphenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-2(3H)-oxazolone (Z)-2-butenedioate
Database identifiers
- CAS
120944-28-7- PubChem CID
- 6449403
Properties
Computed structural properties
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 659
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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