Rmi 61221
Basic information
- CAS
56972-90-8- Standard SMILES
O=C(C1=CC2C=CC1C2)N1CCN(c2cc3ccccc3c(=O)c3ccccc23)CC1- InChIKey
JEZIQOZMMKRJTF-UHFFFAOYSA-N- Molecular formula
- C27H24N2O2
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.18377801
Names & identifiers
- Preferred name
- Rmi 61221
- IUPAC
- 9-[4-(bicyclo[2.2.1]hepta-2,5-diene-2-carbonyl)piperazin-1-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
Names & synonyms
RMI 6122156972-90-8Piperazine, 1-(bicyclo(2.2.1)hepta-2,5-dien-2-ylcarbonyl)-4-(5-oxo-5H-dibenzo(a,d)cyclohepten-10-yl)-RefChem:379324DTXSID1097244610-[4-(Bicyclo[2.2.1]hepta-2,5-diene-2-carbonyl)piperazin-1-yl]-5H-dibenzo[a,d][7]annulen-5-one
Database identifiers
- CAS
56972-90-8- PubChem CID
- 3044281
- DTXSID
DTXSID10972446
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 847
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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