Basic information
- CAS
110427-52-6- Standard SMILES
CCOC(=O)CN1C(=O)N(CC(O)CN2CCN(Cc3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O.Cl.Cl- InChIKey
JHXOSTSAPVGGDA-UHFFFAOYSA-N- Molecular formula
- C33H40Cl2N4O5
- Average molar mass
- 643.6 g/mol
- Monoisotopic mass
- 642.2375758
Names & identifiers
- Preferred name
- 1-Imidazolidineacetic acid, 2,5-dioxo-4,4-diphenyl-3-(2-hydroxy-3-(4-(phenylmethyl)-1-piperazinyl)propyl)-, ethyl ester, dihydrochloride
- IUPAC
- ethyl 2-[3-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate;dihydrochloride
Names & synonyms
110427-52-61-Imidazolidineacetic acid, 2,5-dioxo-4,4-diphenyl-3-(2-hydroxy-3-(4-(phenylmethyl)-1-piperazinyl)propyl)-, ethyl ester, dihydrochlorideRefChem:230960DTXSID10911678Ethyl {3-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl}acetate--hydrogen chloride (1/2)
Database identifiers
- CAS
110427-52-6- PubChem CID
- 60435
- DTXSID
DTXSID10911678
Properties
Computed structural properties
- Topological polar surface area
- 93.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 886
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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