Basic information
- CAS
143782-63-2- Standard SMILES
CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CC#N- InChIKey
ZVWXHSNUBLIKJH-UHFFFAOYSA-N- Molecular formula
- C15H11F3N4O2
- Average molar mass
- 336.27 g/mol
- Monoisotopic mass
- 336.08341009
Overview
structure in first source
Names & identifiers
- Preferred name
- 3-(4-Cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-2,4-dioxo-1-imidazolidineacetonitrile
- IUPAC
- 4-[3-(cyanomethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
- English name
- 1-Imidazolidineacetonitrile, 3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxo-
- Molecular formula
- C15H11F3N4O2
- Molecular weight
- 336.27
Names & synonyms
143782-63-2RU 58642RU-58642DX44GS85HKRU586423-(4-Cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-2,4-dioxo-1-imidazolidineacetonitrileDTXSID501625463-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxo-1-imidazolidineacetonitrileRefChem:180135DTXCID5085037UNII-DX44GS85HK4-[3-(cyanomethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
Show more names
1-Imidazolidineacetonitrile, 3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxo-4-(3-(cyanomethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrileorb1701613SCHEMBL4029305SCHEMBL29921612ZVWXHSNUBLIKJH-UHFFFAOYSA-NAKOS040747451SB19037
Database identifiers
- CAS
143782-63-2- PubChem CID
- 9840708
- DTXSID
DTXSID50162546
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 655
Physicochemical properties
- Boiling point
- 472.7 · 472.7±55.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- -2.42 · -2.42±0.40(Predicted)
- FDA UNII
- 44 GS85HK · DX44GS85HK
Chemistry & industry
Applications
UsesRU 58642 is an orally active non-steroidal antiandrogen, which displays a strong and selective affinity for androgen receptor[1].
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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