Basic information
- CAS
121146-42-7- Standard SMILES
Cc1cc2c(OCCC(O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cccc2[nH]1- InChIKey
XSVLGPUFMDPDLU-UHFFFAOYSA-N- Molecular formula
- C30H35N3O2
- Average molar mass
- 469.6 g/mol
- Monoisotopic mass
- 469.27292737
Overview
structure given in first source
Names & identifiers
- Preferred name
- Bdf 8784
- IUPAC
- 1-(4-benzhydrylpiperazin-1-yl)-4-[(2-methyl-1H-indol-4-yl)oxy]butan-2-ol
Names & synonyms
Bdf 8784Bdf-8784121146-42-7RefChem:1167931-Piperazineethanol, 4-(diphenylmethyl)-alpha-(2-((2-methyl-1H-indol-4-yl)oxy)ethyl)-1-(4-benzhydrylpiperazin-1-yl)-4-[(2-methyl-1H-indol-4-yl)oxy]butan-2-olDTXSID209237022-Methyl-4-(3'-(4''-benzhydryl-1''-piperazinyl)-2'-hydroxypropoxy)-1H-indole1-[4-(diphenylmethyl)piperazin-1-yl]-4-[(2-methyl-1H-indol-4-yl)oxy]butan-2-ol
Database identifiers
- CAS
121146-42-7- PubChem CID
- 129376
- DTXSID
DTXSID20923702
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 595
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…