Basic information
- CAS
61927-03-5- Standard SMILES
O=C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
DWVJMYSDZRMROC-LDFLFNBESA-N- Molecular formula
- C45H52N4O16
- Average molar mass
- 904.9 g/mol
- Monoisotopic mass
- 904.33783158
Names & identifiers
- Preferred name
- Piperazine, 1-(1,3-benzodioxol-5-ylmethyl)-4-((4-(2-(diphenylmethoxy)ethyl)-1-piperazinyl)acetyl)-, (Z)-2-butenedioate, hydrate (1:3:1)
- IUPAC
- 2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanone;tris((E)-but-2-enedioic acid)
Names & synonyms
61927-03-5Piperazine, 1-(1,3-benzodioxol-5-ylmethyl)-4-((4-(2-(diphenylmethoxy)ethyl)-1-piperazinyl)acetyl)-, (Z)-2-butenedioate, hydrate (1:3:1)RefChem:1095686
Database identifiers
- CAS
61927-03-5- PubChem CID
- 6446535
Properties
Computed structural properties
- Topological polar surface area
- 282 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 16
- Heavy atoms
- 65
- Formal charge
- 0
- Complexity
- 889
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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