Basic information
- CAS
87792-13-0- Standard SMILES
CCCCc1c(OC(=O)C23CC4CC(CC(C4)C2)C3)n(-c2ccccc2)n(-c2ccccc2)c1=O- InChIKey
FOBIEMIYPMYDIM-UHFFFAOYSA-N- Molecular formula
- C30H34N2O3
- Average molar mass
- 470.6 g/mol
- Monoisotopic mass
- 470.25694295
Names & identifiers
- Preferred name
- SP 123
- IUPAC
- (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) adamantane-1-carboxylate
Names & synonyms
87792-13-0SP 1234-Butyl-1,2-dihydro-5-((1-adamantanecarbonyl)oxy)-1,2-diphenyl-3H-pyrazol-3-oneDTXSID50236635Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 2,5-dihydro-4-butyl-1,2-diphenyl-5-oxo-1H-pyrazol-3-yl esterRefChem:380797DTXCID801591264-BUTYL-5-OXO-1,2-DIPHENYL-2,5-DIHYDRO-1H-PYRAZOL-3-YL ADAMANTANE-1-CARBOXYLATESCHEMBL1074097
Database identifiers
- CAS
87792-13-0- PubChem CID
- 64533
- DTXSID
DTXSID50236635- Nikkaji
- J63.347J
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 810
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…