Basic information
- CAS
3614-68-4- Standard SMILES
CCCCc1c(O)n(-c2ccc(O)cc2)n(-c2ccccc2)c1=O.OC(CNc1ccccn1)c1ccccc1- InChIKey
JEDUTBVLCDRUFR-UHFFFAOYSA-N- Molecular formula
- C32H34N4O4
- Average molar mass
- 538.6 g/mol
- Monoisotopic mass
- 538.25800558
Names & identifiers
- Preferred name
- 4-Butyl-5-hydroxy-1-(4-hydroxyphenyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one--1-phenyl-2-((pyridin-2-yl)amino)ethan-1-ol (1/1)
- IUPAC
- 4-butyl-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpyrazol-3-one;1-phenyl-2-(pyridin-2-ylamino)ethanol
Names & synonyms
DTXSID709575574-Butyl-5-hydroxy-1-(4-hydroxyphenyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one--1-phenyl-2-((pyridin-2-yl)amino)ethan-1-ol (1/1)4-Butyl-5-hydroxy-1-(4-hydroxyphenyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one--1-phenyl-2-[(pyridin-2-yl)amino]ethan-1-ol (1/1)RefChem:1070444DTXCID9013854923614-68-4CG 21
Database identifiers
- CAS
3614-68-4- PubChem CID
- 199013
- DTXSID
DTXSID70957557
Properties
Computed structural properties
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 669
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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