Basic information
- CAS
58493-22-4- Standard SMILES
COc1cc(CCC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cc(OC)c1O.O=C(O)C(=O)O- InChIKey
GVSHHIVHNWTOJF-UHFFFAOYSA-N- Molecular formula
- C25H37N3O9
- Average molar mass
- 523.6 g/mol
- Monoisotopic mass
- 523.25297977
Names & identifiers
- Preferred name
- Piperazine, 1-((3,5-dimethoxy-4-hydroxy)dihydrocinnamoyl)-4-hexahydroazepinylcarbonylmethyl-, oxalate
- IUPAC
- 1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one;oxalic acid
Names & synonyms
58493-22-4Piperazine, 1-((3,5-dimethoxy-4-hydroxy)dihydrocinnamoyl)-4-hexahydroazepinylcarbonylmethyl-, oxalateDTXSID30207202RefChem:371783DTXCID90129693Oxalic acid--1-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-3-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one (1/1)
Database identifiers
- CAS
58493-22-4- PubChem CID
- 64906
- DTXSID
DTXSID30207202
Properties
Computed structural properties
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 631
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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